N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

C25H27N7O2 — CID 147214082

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nc(-n4cccn4)c3)cn2)cn1
InChIInChI=1S/C25H27N7O2/c1-31-16-19(15-28-31)20-8-7-17(14-26-20)11-18-12-22(29-24(13-18)32-10-4-9-27-32)25(34)30-21-5-2-3-6-23(21)33/h4,7-10,12-16,21,23,33H,2-3,5-6,11H2,1H3,(H,30,34)/t21-,23-/m0/s1
InChIKeyCFTOFUFUWOGWEQ-GMAHTHKFSA-N
MW457.54 g/mol
LogP2.69
Rot. Bonds6

About N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 147214082) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID147214082
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nc(-n4cccn4)c3)cn2)cn1
InChIInChI=1S/C25H27N7O2/c1-31-16-19(15-28-31)20-8-7-17(14-26-20)11-18-12-22(29-24(13-18)32-10-4-9-27-32)25(34)30-21-5-2-3-6-23(21)33/h4,7-10,12-16,21,23,33H,2-3,5-6,11H2,1H3,(H,30,34)/t21-,23-/m0/s1
InChIKeyCFTOFUFUWOGWEQ-GMAHTHKFSA-N
XLogP2.69
TPSA110.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 147214082) is N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nc(-n4cccn4)c3)cn2)cn1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is CFTOFUFUWOGWEQ-GMAHTHKFSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-31-16-19(15-28-31)20-8-7-17(14-26-20)11-18-12-22(29-24(13-18)32-10-4-9-27-32)25(34)30-21-5-2-3-6-23(21)33/h4,7-10,12-16,21,23,33H,2-3,5-6,11H2,1H3,(H,30,34)/t21-,23-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 457.54 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 147214082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).