N-ethyl-3-[(3R,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl]-2-methylpyrazolo[1,5-a]pyridine-6-carboxamide

C24H36N4O2 — CID 166642422

IUPACN-ethyl-3-[(3R,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl]-2-methylpyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCCNC(=O)c1ccc2c([C@H]3CCN(CC4(O)CCCCC4)C[C@@H]3C)c(C)nn2c1
InChIInChI=1S/C24H36N4O2/c1-4-25-23(29)19-8-9-21-22(18(3)26-28(21)15-19)20-10-13-27(14-17(20)2)16-24(30)11-6-5-7-12-24/h8-9,15,17,20,30H,4-7,10-14,16H2,1-3H3,(H,25,29)/t17-,20-/m0/s1
InChIKeyMJLJMNMVTQVARE-PXNSSMCTSA-N
MW412.58 g/mol
LogP3.51
Rot. Bonds5

About N-ethyl-3-[(3R,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl]-2-methylpyrazolo[1,5-a]pyridine-6-carboxamide

N-ethyl-3-[(3R,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl]-2-methylpyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 166642422) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-ethyl-3-[(3R,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl]-2-methylpyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[(3R,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl]-2-methylpyrazolo[1,5-a]pyridine-6-carboxamide
PubChem CID166642422
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC NameN-ethyl-3-[(3R,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl]-2-methylpyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCCNC(=O)c1ccc2c([C@H]3CCN(CC4(O)CCCCC4)C[C@@H]3C)c(C)nn2c1
InChIInChI=1S/C24H36N4O2/c1-4-25-23(29)19-8-9-21-22(18(3)26-28(21)15-19)20-10-13-27(14-17(20)2)16-24(30)11-6-5-7-12-24/h8-9,15,17,20,30H,4-7,10-14,16H2,1-3H3,(H,25,29)/t17-,20-/m0/s1
InChIKeyMJLJMNMVTQVARE-PXNSSMCTSA-N
XLogP3.51
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(3R,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl]-2-methylpyrazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-ethyl-3-[(3R,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl]-2-methylpyrazolo[1,5-a]pyridine-6-carboxamide (CID 166642422) is N-ethyl-3-[(3R,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl]-2-methylpyrazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-ethyl-3-[(3R,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl]-2-methylpyrazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-ethyl-3-[(3R,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl]-2-methylpyrazolo[1,5-a]pyridine-6-carboxamide is CCNC(=O)c1ccc2c([C@H]3CCN(CC4(O)CCCCC4)C[C@@H]3C)c(C)nn2c1.
What is the InChIKey of N-ethyl-3-[(3R,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl]-2-methylpyrazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is MJLJMNMVTQVARE-PXNSSMCTSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-4-25-23(29)19-8-9-21-22(18(3)26-28(21)15-19)20-10-13-27(14-17(20)2)16-24(30)11-6-5-7-12-24/h8-9,15,17,20,30H,4-7,10-14,16H2,1-3H3,(H,25,29)/t17-,20-/m0/s1.
What are the key properties of N-ethyl-3-[(3R,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl]-2-methylpyrazolo[1,5-a]pyridine-6-carboxamide?
N-ethyl-3-[(3R,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl]-2-methylpyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 412.58 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(3R,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl]-2-methylpyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 166642422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).