1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol

C30H33ClF3N5O3S — CID 10146027

IUPAC1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol
SMILESCS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(c3c[nH]c4cc(Cl)ccc34)CC2)C1
InChIInChI=1S/C30H33ClF3N5O3S/c1-43(41,42)38-13-10-28-26(18-38)29(20-2-4-21(5-3-20)30(32,33)34)36-39(28)17-23(40)16-37-11-8-19(9-12-37)25-15-35-27-14-22(31)6-7-24(25)27/h2-7,14-15,19,23,35,40H,8-13,16-18H2,1H3
InChIKeyCBAHBYVRCZJSCQ-UHFFFAOYSA-N
MW636.14 g/mol
LogP5.26
Rot. Bonds7

About 1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol

1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol (PubChem CID 10146027) has the molecular formula C30H33ClF3N5O3S and a molecular weight of 636.14 g/mol. Its IUPAC name is 1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol
PubChem CID10146027
Molecular FormulaC30H33ClF3N5O3S
Molecular Weight636.14 g/mol
Exact Mass635.19
IUPAC Name1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol
SMILESCS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(c3c[nH]c4cc(Cl)ccc34)CC2)C1
InChIInChI=1S/C30H33ClF3N5O3S/c1-43(41,42)38-13-10-28-26(18-38)29(20-2-4-21(5-3-20)30(32,33)34)36-39(28)17-23(40)16-37-11-8-19(9-12-37)25-15-35-27-14-22(31)6-7-24(25)27/h2-7,14-15,19,23,35,40H,8-13,16-18H2,1H3
InChIKeyCBAHBYVRCZJSCQ-UHFFFAOYSA-N
XLogP5.26
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.14
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol (CID 10146027) is 1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol is CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(c3c[nH]c4cc(Cl)ccc34)CC2)C1.
What is the InChIKey of 1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol?
The InChIKey is CBAHBYVRCZJSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClF3N5O3S/c1-43(41,42)38-13-10-28-26(18-38)29(20-2-4-21(5-3-20)30(32,33)34)36-39(28)17-23(40)16-37-11-8-19(9-12-37)25-15-35-27-14-22(31)6-7-24(25)27/h2-7,14-15,19,23,35,40H,8-13,16-18H2,1H3.
What are the key properties of 1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol?
1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol has a molecular weight of 636.14 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol is sourced from PubChem (CID 10146027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).