3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide

C27H32F3N5O4S — CID 145315189

IUPAC3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(C4CC4)n(CC4CCC(C(F)(F)F)CC4)nc3c2)nc1
InChIInChI=1S/C27H32F3N5O4S/c1-2-40(38,39)20-9-10-21(31-13-20)23(15-36)33-26(37)18-11-22-24(32-12-18)25(17-5-6-17)35(34-22)14-16-3-7-19(8-4-16)27(28,29)30/h9-13,16-17,19,23,36H,2-8,14-15H2,1H3,(H,33,37)/t16?,19?,23-/m0/s1
InChIKeySPSRZMJTVZWCKT-RNNUUBKPSA-N
MW579.65 g/mol
LogP4.33
Rot. Bonds9

About 3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide

3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 145315189) has the molecular formula C27H32F3N5O4S and a molecular weight of 579.65 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide
PubChem CID145315189
Molecular FormulaC27H32F3N5O4S
Molecular Weight579.65 g/mol
Exact Mass579.21
IUPAC Name3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(C4CC4)n(CC4CCC(C(F)(F)F)CC4)nc3c2)nc1
InChIInChI=1S/C27H32F3N5O4S/c1-2-40(38,39)20-9-10-21(31-13-20)23(15-36)33-26(37)18-11-22-24(32-12-18)25(17-5-6-17)35(34-22)14-16-3-7-19(8-4-16)27(28,29)30/h9-13,16-17,19,23,36H,2-8,14-15H2,1H3,(H,33,37)/t16?,19?,23-/m0/s1
InChIKeySPSRZMJTVZWCKT-RNNUUBKPSA-N
XLogP4.33
TPSA127.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.65
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide (CID 145315189) is 3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide is CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cnc3c(C4CC4)n(CC4CCC(C(F)(F)F)CC4)nc3c2)nc1.
What is the InChIKey of 3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide?
The InChIKey is SPSRZMJTVZWCKT-RNNUUBKPSA-N. The full InChI is InChI=1S/C27H32F3N5O4S/c1-2-40(38,39)20-9-10-21(31-13-20)23(15-36)33-26(37)18-11-22-24(32-12-18)25(17-5-6-17)35(34-22)14-16-3-7-19(8-4-16)27(28,29)30/h9-13,16-17,19,23,36H,2-8,14-15H2,1H3,(H,33,37)/t16?,19?,23-/m0/s1.
What are the key properties of 3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide?
3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 579.65 g/mol, XLogP of 4.33, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 145315189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).