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

C27H30N6O2 — CID 150598194

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCc1c(Cc2ccc(-c3ccn(C)n3)cc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)nc1-n1cccn1
InChIInChI=1S/C27H30N6O2/c1-18-21(16-19-8-10-20(11-9-19)22-12-15-32(2)31-22)17-24(29-26(18)33-14-5-13-28-33)27(35)30-23-6-3-4-7-25(23)34/h5,8-15,17,23,25,34H,3-4,6-7,16H2,1-2H3,(H,30,35)/t23-,25-/m0/s1
InChIKeyIRHOZOZQQBKVEG-ZCYQVOJMSA-N
MW470.58 g/mol
LogP3.60
Rot. Bonds6

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

N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 150598194) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID150598194
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCc1c(Cc2ccc(-c3ccn(C)n3)cc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)nc1-n1cccn1
InChIInChI=1S/C27H30N6O2/c1-18-21(16-19-8-10-20(11-9-19)22-12-15-32(2)31-22)17-24(29-26(18)33-14-5-13-28-33)27(35)30-23-6-3-4-7-25(23)34/h5,8-15,17,23,25,34H,3-4,6-7,16H2,1-2H3,(H,30,35)/t23-,25-/m0/s1
InChIKeyIRHOZOZQQBKVEG-ZCYQVOJMSA-N
XLogP3.60
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 150598194) is N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is Cc1c(Cc2ccc(-c3ccn(C)n3)cc2)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-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is IRHOZOZQQBKVEG-ZCYQVOJMSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-18-21(16-19-8-10-20(11-9-19)22-12-15-32(2)31-22)17-24(29-26(18)33-14-5-13-28-33)27(35)30-23-6-3-4-7-25(23)34/h5,8-15,17,23,25,34H,3-4,6-7,16H2,1-2H3,(H,30,35)/t23-,25-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 470.58 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 150598194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).