(7S,10R)-12-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione

C35H43FN6O4 — CID 169415230

IUPAC(7S,10R)-12-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC(=O)NCCCc2ccc(F)c(c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(C)C)C1
InChIInChI=1S/C35H43FN6O4/c1-22(2)30-20-40(33(44)19-27-23(3)39-42(24(27)4)26-11-6-5-7-12-26)21-32(43)37-16-8-10-25-14-15-29(36)28(18-25)35(46)41-17-9-13-31(41)34(45)38-30/h5-7,11-12,14-15,18,22,30-31H,8-10,13,16-17,19-21H2,1-4H3,(H,37,43)(H,38,45)/t30-,31-/m0/s1
InChIKeyCFGSWPSMDAEPPK-CONSDPRKSA-N
MW630.77 g/mol
LogP3.51
Rot. Bonds4

About (7S,10R)-12-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione

(7S,10R)-12-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione (PubChem CID 169415230) has the molecular formula C35H43FN6O4 and a molecular weight of 630.77 g/mol. Its IUPAC name is (7S,10R)-12-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione.

Molecular Properties

Compound Name(7S,10R)-12-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione
PubChem CID169415230
Molecular FormulaC35H43FN6O4
Molecular Weight630.77 g/mol
Exact Mass630.33
IUPAC Name(7S,10R)-12-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC(=O)NCCCc2ccc(F)c(c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(C)C)C1
InChIInChI=1S/C35H43FN6O4/c1-22(2)30-20-40(33(44)19-27-23(3)39-42(24(27)4)26-11-6-5-7-12-26)21-32(43)37-16-8-10-25-14-15-29(36)28(18-25)35(46)41-17-9-13-31(41)34(45)38-30/h5-7,11-12,14-15,18,22,30-31H,8-10,13,16-17,19-21H2,1-4H3,(H,37,43)(H,38,45)/t30-,31-/m0/s1
InChIKeyCFGSWPSMDAEPPK-CONSDPRKSA-N
XLogP3.51
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.77
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7S,10R)-12-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione 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

(7S,10R)-22-fluoro-12-(2-phenylmethoxybenzoyl)-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione
CID 169411348
(7S,10R)-12-(2,5-dimethylfuran-3-carbonyl)-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione
CID 169417490
(7S,10R)-12-(3-chloro-4-methylbenzoyl)-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione
CID 169422172
(7S,10R)-22-fluoro-12-[5-(4-methylphenyl)furan-2-carbonyl]-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione
CID 169422161
(7S,10R)-22-fluoro-12-(4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carbonyl)-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione;hydrochloride
CID 171708189
(7S,10R)-22-fluoro-12-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione
CID 169418733
(7S,10R)-22-fluoro-12-[(1-methylbenzimidazol-2-yl)methyl]-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione
CID 170510622
4-[[(7S,10R)-22-fluoro-2,8,14-trioxo-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-trien-12-yl]methyl]benzonitrile
CID 169414649
(7S,10R)-12-[2-(4-chloropyrazol-1-yl)ethyl]-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione
CID 169414749
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 119595105
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 133138621
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 119437515

Frequently Asked Questions

What is the IUPAC name of (7S,10R)-12-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione?
The IUPAC name of (7S,10R)-12-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione (CID 169415230) is (7S,10R)-12-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione.
What is the SMILES notation for (7S,10R)-12-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione?
The canonical SMILES for (7S,10R)-12-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione is Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC(=O)NCCCc2ccc(F)c(c2)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(C)C)C1.
What is the InChIKey of (7S,10R)-12-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione?
The InChIKey is CFGSWPSMDAEPPK-CONSDPRKSA-N. The full InChI is InChI=1S/C35H43FN6O4/c1-22(2)30-20-40(33(44)19-27-23(3)39-42(24(27)4)26-11-6-5-7-12-26)21-32(43)37-16-8-10-25-14-15-29(36)28(18-25)35(46)41-17-9-13-31(41)34(45)38-30/h5-7,11-12,14-15,18,22,30-31H,8-10,13,16-17,19-21H2,1-4H3,(H,37,43)(H,38,45)/t30-,31-/m0/s1.
What are the key properties of (7S,10R)-12-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione?
(7S,10R)-12-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione has a molecular weight of 630.77 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,10R)-12-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-22-fluoro-10-propan-2-yl-3,9,12,15-tetrazatricyclo[17.3.1.03,7]tricosa-1(22),19(23),20-triene-2,8,14-trione is sourced from PubChem (CID 169415230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).