N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

C26H29N7O2 — CID 151902135

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCc1c(Cc2ccc(-c3ccn(C)n3)nc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)nc1-n1cccn1
InChIInChI=1S/C26H29N7O2/c1-17-19(14-18-8-9-20(27-16-18)21-10-13-32(2)31-21)15-23(29-25(17)33-12-5-11-28-33)26(35)30-22-6-3-4-7-24(22)34/h5,8-13,15-16,22,24,34H,3-4,6-7,14H2,1-2H3,(H,30,35)/t22-,24-/m0/s1
InChIKeySSZGAIORFBWWNC-UPVQGACJSA-N
MW471.57 g/mol
LogP3.00
Rot. Bonds6

About N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 151902135) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID151902135
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCc1c(Cc2ccc(-c3ccn(C)n3)nc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)nc1-n1cccn1
InChIInChI=1S/C26H29N7O2/c1-17-19(14-18-8-9-20(27-16-18)21-10-13-32(2)31-21)15-23(29-25(17)33-12-5-11-28-33)26(35)30-22-6-3-4-7-24(22)34/h5,8-13,15-16,22,24,34H,3-4,6-7,14H2,1-2H3,(H,30,35)/t22-,24-/m0/s1
InChIKeySSZGAIORFBWWNC-UPVQGACJSA-N
XLogP3.00
TPSA110.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.00
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]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 151902135) is N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is Cc1c(Cc2ccc(-c3ccn(C)n3)nc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)nc1-n1cccn1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is SSZGAIORFBWWNC-UPVQGACJSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-17-19(14-18-8-9-20(27-16-18)21-10-13-32(2)31-21)15-23(29-25(17)33-12-5-11-28-33)26(35)30-22-6-3-4-7-24(22)34/h5,8-13,15-16,22,24,34H,3-4,6-7,14H2,1-2H3,(H,30,35)/t22-,24-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 471.57 g/mol, XLogP of 3.00, 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]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 151902135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).