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

C27H29N5O3 — CID 150432184

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCc1nc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nc(-n4cccn4)c3C)cc2)co1
InChIInChI=1S/C27H29N5O3/c1-17-21(14-19-8-10-20(11-9-19)24-16-35-18(2)29-24)15-23(30-26(17)32-13-5-12-28-32)27(34)31-22-6-3-4-7-25(22)33/h5,8-13,15-16,22,25,33H,3-4,6-7,14H2,1-2H3,(H,31,34)/t22-,25-/m0/s1
InChIKeyHJZWJBKVGPKYFO-DHLKQENFSA-N
MW471.56 g/mol
LogP4.16
Rot. Bonds6

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

N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 150432184) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID150432184
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCc1nc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nc(-n4cccn4)c3C)cc2)co1
InChIInChI=1S/C27H29N5O3/c1-17-21(14-19-8-10-20(11-9-19)24-16-35-18(2)29-24)15-23(30-26(17)32-13-5-12-28-32)27(34)31-22-6-3-4-7-25(22)33/h5,8-13,15-16,22,25,33H,3-4,6-7,14H2,1-2H3,(H,31,34)/t22-,25-/m0/s1
InChIKeyHJZWJBKVGPKYFO-DHLKQENFSA-N
XLogP4.16
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.16
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-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 150432184) is N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is Cc1nc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nc(-n4cccn4)c3C)cc2)co1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is HJZWJBKVGPKYFO-DHLKQENFSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-17-21(14-19-8-10-20(11-9-19)24-16-35-18(2)29-24)15-23(30-26(17)32-13-5-12-28-32)27(34)31-22-6-3-4-7-25(22)33/h5,8-13,15-16,22,25,33H,3-4,6-7,14H2,1-2H3,(H,31,34)/t22-,25-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 4.16, 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-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 150432184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).