4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

C120H125F5N24O6 — CID 159241762

IUPAC4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC1=C(c2ccc3c(c2)OCO3)CC(C2(C)CCN(c3ncnc4c3C=C(c3cnn(C(C)F)c3)C4)CC2)=N1.COc1cc(-c2cc3c(N4CCC(c5nc(-c6ccc(C(F)(F)F)cc6)c(C)[nH]5)CC4)ncnc3[nH]2)ccn1.COc1ccc(C2=C(C)N=C(C3(C)CCN(c4ncnc5c4C=C(c4ccc(OC)nc4)C5)CC3)C2)cc1.COc1ccc(C2=C(C)N=C(C3(C)CCN(c4ncnc5c4C=C(c4cnn(C(C)F)c4)C5)CC3)C2)cc1C
InChIInChI=1S/C31H35FN6O.C31H33N5O2.C30H31FN6O2.C28H26F3N7O/c1-19-12-22(6-7-28(19)39-5)25-15-29(36-20(25)2)31(4)8-10-37(11-9-31)30-26-13-23(14-27(26)33-18-34-30)24-16-35-38(17-24)21(3)32;1-20-25(21-5-8-24(37-3)9-6-21)17-28(35-20)31(2)11-13-36(14-12-31)30-26-15-23(16-27(26)33-19-34-30)22-7-10-29(38-4)32-18-22;1-18-23(20-4-5-26-27(12-20)39-17-38-26)13-28(35-18)30(3)6-8-36(9-7-30)29-24-10-21(11-25(24)32-16-33-29)22-14-34-37(15-22)19(2)31;1-16-24(17-3-5-20(6-4-17)28(29,30)31)37-25(35-16)18-8-11-38(12-9-18)27-21-14-22(36-26(21)33-15-34-27)19-7-10-32-23(13-19)39-2/h6-7,12-13,16-18,21H,8-11,14-15H2,1-5H3;5-10,15,18-19H,11-14,16-17H2,1-4H3;4-5,10,12,14-16,19H,6-9,11,13,17H2,1-3H3;3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,35,37)(H,33,34,36)
InChIKeyKUELLBDPRRZSLB-UHFFFAOYSA-N
MW2094.47 g/mol
LogP24.32
Rot. Bonds22

About 4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 159241762) has the molecular formula C120H125F5N24O6 and a molecular weight of 2094.47 g/mol. Its IUPAC name is 4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID159241762
Molecular FormulaC120H125F5N24O6
Molecular Weight2094.47 g/mol
Exact Mass2093.01
IUPAC Name4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC1=C(c2ccc3c(c2)OCO3)CC(C2(C)CCN(c3ncnc4c3C=C(c3cnn(C(C)F)c3)C4)CC2)=N1.COc1cc(-c2cc3c(N4CCC(c5nc(-c6ccc(C(F)(F)F)cc6)c(C)[nH]5)CC4)ncnc3[nH]2)ccn1.COc1ccc(C2=C(C)N=C(C3(C)CCN(c4ncnc5c4C=C(c4ccc(OC)nc4)C5)CC3)C2)cc1.COc1ccc(C2=C(C)N=C(C3(C)CCN(c4ncnc5c4C=C(c4cnn(C(C)F)c4)C5)CC3)C2)cc1C
InChIInChI=1S/C31H35FN6O.C31H33N5O2.C30H31FN6O2.C28H26F3N7O/c1-19-12-22(6-7-28(19)39-5)25-15-29(36-20(25)2)31(4)8-10-37(11-9-31)30-26-13-23(14-27(26)33-18-34-30)24-16-35-38(17-24)21(3)32;1-20-25(21-5-8-24(37-3)9-6-21)17-28(35-20)31(2)11-13-36(14-12-31)30-26-15-23(16-27(26)33-19-34-30)22-7-10-29(38-4)32-18-22;1-18-23(20-4-5-26-27(12-20)39-17-38-26)13-28(35-18)30(3)6-8-36(9-7-30)29-24-10-21(11-25(24)32-16-33-29)22-14-34-37(15-22)19(2)31;1-16-24(17-3-5-20(6-4-17)28(29,30)31)37-25(35-16)18-8-11-38(12-9-18)27-21-14-22(36-26(21)33-15-34-27)19-7-10-32-23(13-19)39-2/h6-7,12-13,16-18,21H,8-11,14-15H2,1-5H3;5-10,15,18-19H,11-14,16-17H2,1-4H3;4-5,10,12,14-16,19H,6-9,11,13,17H2,1-3H3;3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,35,37)(H,33,34,36)
InChIKeyKUELLBDPRRZSLB-UHFFFAOYSA-N
XLogP24.32
TPSA314.43 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002094.47
LogP ≤ 524.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Analyze 4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[5-(1,3-benzodioxol-5-yl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118413808
4-[4-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413840
4-[4-[5-(1,3-benzodioxol-5-yl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118413869
6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118413907
4-[4-[5-(1,3-benzodioxol-5-yl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-6-(6-methoxy-3-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413956
N-[1,3-benzodioxol-5-yl-[2-[(3,5-difluorophenyl)methylamino]-9-(1H-indazol-6-yl)purin-7-ium-7-yl]methyl]-9-(1H-indazol-6-yl)-7-[[[9-(1H-indazol-6-yl)purin-2-yl]-[(3-methoxyphenyl)methyl]amino]methyl]purin-7-ium-2-amine
CID 123612219
4-[4-[4-[4-[4-(difluoromethyl)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7-[[2-[1-[6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-methylpiperidin-4-yl]-4-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 130455743
3-[7-(1,3-benzodioxol-5-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[4,3-b]pyridine
CID 137033584
3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[4,3-b]pyridine
CID 137041482
3-[4-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[4,3-b]pyridine
CID 137088270
(2R)-N-[[5-[6-[6-[2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-4-yl]-2-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2-fluorocyclohexan-1-amine
CID 139569424
4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine
CID 147107273

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 159241762) is 4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is CC1=C(c2ccc3c(c2)OCO3)CC(C2(C)CCN(c3ncnc4c3C=C(c3cnn(C(C)F)c3)C4)CC2)=N1.COc1cc(-c2cc3c(N4CCC(c5nc(-c6ccc(C(F)(F)F)cc6)c(C)[nH]5)CC4)ncnc3[nH]2)ccn1.COc1ccc(C2=C(C)N=C(C3(C)CCN(c4ncnc5c4C=C(c4ccc(OC)nc4)C5)CC3)C2)cc1.COc1ccc(C2=C(C)N=C(C3(C)CCN(c4ncnc5c4C=C(c4cnn(C(C)F)c4)C5)CC3)C2)cc1C.
What is the InChIKey of 4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is KUELLBDPRRZSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35FN6O.C31H33N5O2.C30H31FN6O2.C28H26F3N7O/c1-19-12-22(6-7-28(19)39-5)25-15-29(36-20(25)2)31(4)8-10-37(11-9-31)30-26-13-23(14-27(26)33-18-34-30)24-16-35-38(17-24)21(3)32;1-20-25(21-5-8-24(37-3)9-6-21)17-28(35-20)31(2)11-13-36(14-12-31)30-26-15-23(16-27(26)33-19-34-30)22-7-10-29(38-4)32-18-22;1-18-23(20-4-5-26-27(12-20)39-17-38-26)13-28(35-18)30(3)6-8-36(9-7-30)29-24-10-21(11-25(24)32-16-33-29)22-14-34-37(15-22)19(2)31;1-16-24(17-3-5-20(6-4-17)28(29,30)31)37-25(35-16)18-8-11-38(12-9-18)27-21-14-22(36-26(21)33-15-34-27)19-7-10-32-23(13-19)39-2/h6-7,12-13,16-18,21H,8-11,14-15H2,1-5H3;5-10,15,18-19H,11-14,16-17H2,1-4H3;4-5,10,12,14-16,19H,6-9,11,13,17H2,1-3H3;3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,35,37)(H,33,34,36).
What are the key properties of 4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 2094.47 g/mol, XLogP of 24.32, 22 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 159241762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).