N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

C24H23F3N6O3 — CID 134435412

IUPACN-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCOc1cc(-c2ccc(N3CC[C@H](NC(=O)C4(C(F)(F)F)CC4)[C@@H](O)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C24H23F3N6O3/c1-36-16-8-17(21-15(9-28)11-30-33(21)12-16)14-2-3-20(29-10-14)32-7-4-18(19(34)13-32)31-22(35)23(5-6-23)24(25,26)27/h2-3,8,10-12,18-19,34H,4-7,13H2,1H3,(H,31,35)/t18-,19-/m0/s1
InChIKeyDOQVGIBEEJCYCH-OALUTQOASA-N
MW500.48 g/mol
LogP2.67
Rot. Bonds5

About N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 134435412) has the molecular formula C24H23F3N6O3 and a molecular weight of 500.48 g/mol. Its IUPAC name is N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID134435412
Molecular FormulaC24H23F3N6O3
Molecular Weight500.48 g/mol
Exact Mass500.18
IUPAC NameN-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCOc1cc(-c2ccc(N3CC[C@H](NC(=O)C4(C(F)(F)F)CC4)[C@@H](O)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C24H23F3N6O3/c1-36-16-8-17(21-15(9-28)11-30-33(21)12-16)14-2-3-20(29-10-14)32-7-4-18(19(34)13-32)31-22(35)23(5-6-23)24(25,26)27/h2-3,8,10-12,18-19,34H,4-7,13H2,1H3,(H,31,35)/t18-,19-/m0/s1
InChIKeyDOQVGIBEEJCYCH-OALUTQOASA-N
XLogP2.67
TPSA115.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.48
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 134435412) is N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is COc1cc(-c2ccc(N3CC[C@H](NC(=O)C4(C(F)(F)F)CC4)[C@@H](O)C3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is DOQVGIBEEJCYCH-OALUTQOASA-N. The full InChI is InChI=1S/C24H23F3N6O3/c1-36-16-8-17(21-15(9-28)11-30-33(21)12-16)14-2-3-20(29-10-14)32-7-4-18(19(34)13-32)31-22(35)23(5-6-23)24(25,26)27/h2-3,8,10-12,18-19,34H,4-7,13H2,1H3,(H,31,35)/t18-,19-/m0/s1.
What are the key properties of N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 500.48 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134435412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).