4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]amino]-2-pyridinyl]propan-2-ol;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]morpholine;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-1,4-thiazinane 1,1-dioxide

C102H116N20O12S — CID 163452562

IUPAC4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]amino]-2-pyridinyl]propan-2-ol;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]morpholine;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(O)c1cc(Nc2ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c2)ccn1.Cc1nnc2n1CCN(c1ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c1)C2.O=S1(=O)CCN(c2ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c2)CC1.c1cc(Oc2cn(C3CC3)nc2C2CCOCC2)c2ccc(N3CCOCC3)cc2n1
InChIInChI=1S/C28H31N5O3.C26H29N7O2.C24H28N4O4S.C24H28N4O3/c1-28(2,34)26-16-20(7-11-30-26)31-19-3-6-22-23(15-19)29-12-8-24(22)36-25-17-33(21-4-5-21)32-27(25)18-9-13-35-14-10-18;1-17-28-29-25-16-31(10-11-32(17)25)20-4-5-21-22(14-20)27-9-6-23(21)35-24-15-33(19-2-3-19)30-26(24)18-7-12-34-13-8-18;29-33(30)13-9-27(10-14-33)19-3-4-20-21(15-19)25-8-5-22(20)32-23-16-28(18-1-2-18)26-24(23)17-6-11-31-12-7-17;1-2-18(1)28-16-23(24(26-28)17-6-11-29-12-7-17)31-22-5-8-25-21-15-19(3-4-20(21)22)27-9-13-30-14-10-27/h3,6-8,11-12,15-18,21,34H,4-5,9-10,13-14H2,1-2H3,(H,30,31);4-6,9,14-15,18-19H,2-3,7-8,10-13,16H2,1H3;3-5,8,15-18H,1-2,6-7,9-14H2;3-5,8,15-18H,1-2,6-7,9-14H2
InChIKeyBHUOFYHMVFSFSE-UHFFFAOYSA-N
MW1846.24 g/mol
LogP18.17
Rot. Bonds22

About 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]amino]-2-pyridinyl]propan-2-ol;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]morpholine;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-1,4-thiazinane 1,1-dioxide

4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]amino]-2-pyridinyl]propan-2-ol;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]morpholine;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 163452562) has the molecular formula C102H116N20O12S and a molecular weight of 1846.24 g/mol. Its IUPAC name is 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]amino]-2-pyridinyl]propan-2-ol;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]morpholine;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]amino]-2-pyridinyl]propan-2-ol;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]morpholine;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-1,4-thiazinane 1,1-dioxide
PubChem CID163452562
Molecular FormulaC102H116N20O12S
Molecular Weight1846.24 g/mol
Exact Mass1844.88
IUPAC Name4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]amino]-2-pyridinyl]propan-2-ol;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]morpholine;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(O)c1cc(Nc2ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c2)ccn1.Cc1nnc2n1CCN(c1ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c1)C2.O=S1(=O)CCN(c2ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c2)CC1.c1cc(Oc2cn(C3CC3)nc2C2CCOCC2)c2ccc(N3CCOCC3)cc2n1
InChIInChI=1S/C28H31N5O3.C26H29N7O2.C24H28N4O4S.C24H28N4O3/c1-28(2,34)26-16-20(7-11-30-26)31-19-3-6-22-23(15-19)29-12-8-24(22)36-25-17-33(21-4-5-21)32-27(25)18-9-13-35-14-10-18;1-17-28-29-25-16-31(10-11-32(17)25)20-4-5-21-22(14-20)27-9-6-23(21)35-24-15-33(19-2-3-19)30-26(24)18-7-12-34-13-8-18;29-33(30)13-9-27(10-14-33)19-3-4-20-21(15-19)25-8-5-22(20)32-23-16-28(18-1-2-18)26-24(23)17-6-11-31-12-7-17;1-2-18(1)28-16-23(24(26-28)17-6-11-29-12-7-17)31-22-5-8-25-21-15-19(3-4-20(21)22)27-9-13-30-14-10-27/h3,6-8,11-12,15-18,21,34H,4-5,9-10,13-14H2,1-2H3,(H,30,31);4-6,9,14-15,18-19H,2-3,7-8,10-13,16H2,1H3;3-5,8,15-18H,1-2,6-7,9-14H2;3-5,8,15-18H,1-2,6-7,9-14H2
InChIKeyBHUOFYHMVFSFSE-UHFFFAOYSA-N
XLogP18.17
TPSA325.63 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds22
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001846.24
LogP ≤ 518.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Analyze 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]amino]-2-pyridinyl]propan-2-ol;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]morpholine;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-1,4-thiazinane 1,1-dioxide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[(2,2-difluorocyclopropyl)methoxy]-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(1,1-dioxothian-4-yl)oxy-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxolan-3-yloxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 167614429
4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(4-methylsulfonylphenyl)quinoline
CID 164168785

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]amino]-2-pyridinyl]propan-2-ol;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]morpholine;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]amino]-2-pyridinyl]propan-2-ol;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]morpholine;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-1,4-thiazinane 1,1-dioxide (CID 163452562) is 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]amino]-2-pyridinyl]propan-2-ol;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]morpholine;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]amino]-2-pyridinyl]propan-2-ol;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]morpholine;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]amino]-2-pyridinyl]propan-2-ol;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]morpholine;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-1,4-thiazinane 1,1-dioxide is CC(C)(O)c1cc(Nc2ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c2)ccn1.Cc1nnc2n1CCN(c1ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c1)C2.O=S1(=O)CCN(c2ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c2)CC1.c1cc(Oc2cn(C3CC3)nc2C2CCOCC2)c2ccc(N3CCOCC3)cc2n1.
What is the InChIKey of 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]amino]-2-pyridinyl]propan-2-ol;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]morpholine;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is BHUOFYHMVFSFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3.C26H29N7O2.C24H28N4O4S.C24H28N4O3/c1-28(2,34)26-16-20(7-11-30-26)31-19-3-6-22-23(15-19)29-12-8-24(22)36-25-17-33(21-4-5-21)32-27(25)18-9-13-35-14-10-18;1-17-28-29-25-16-31(10-11-32(17)25)20-4-5-21-22(14-20)27-9-6-23(21)35-24-15-33(19-2-3-19)30-26(24)18-7-12-34-13-8-18;29-33(30)13-9-27(10-14-33)19-3-4-20-21(15-19)25-8-5-22(20)32-23-16-28(18-1-2-18)26-24(23)17-6-11-31-12-7-17;1-2-18(1)28-16-23(24(26-28)17-6-11-29-12-7-17)31-22-5-8-25-21-15-19(3-4-20(21)22)27-9-13-30-14-10-27/h3,6-8,11-12,15-18,21,34H,4-5,9-10,13-14H2,1-2H3,(H,30,31);4-6,9,14-15,18-19H,2-3,7-8,10-13,16H2,1H3;3-5,8,15-18H,1-2,6-7,9-14H2;3-5,8,15-18H,1-2,6-7,9-14H2.
What are the key properties of 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]amino]-2-pyridinyl]propan-2-ol;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]morpholine;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-1,4-thiazinane 1,1-dioxide?
4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]amino]-2-pyridinyl]propan-2-ol;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]morpholine;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 1846.24 g/mol, XLogP of 18.17, 22 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinoline;2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]amino]-2-pyridinyl]propan-2-ol;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]morpholine;4-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 163452562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).