5-chloro-4-[[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-2-carboxamide

C24H28ClN5O2 — CID 129017531

IUPAC5-chloro-4-[[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-2-carboxamide
SMILESCc1nn(C)cc1-c1ccc(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)nc(C)c2Cl)cn1
InChIInChI=1S/C24H28ClN5O2/c1-14-18(13-30(3)29-14)19-9-8-16(12-26-19)10-17-11-21(27-15(2)23(17)25)24(32)28-20-6-4-5-7-22(20)31/h8-9,11-13,20,22,31H,4-7,10H2,1-3H3,(H,28,32)/t20-,22-/m0/s1
InChIKeyFMALPAOQLOVRTB-UNMCSNQZSA-N
MW453.97 g/mol
LogP3.77
Rot. Bonds5

About 5-chloro-4-[[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-2-carboxamide

5-chloro-4-[[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-2-carboxamide (PubChem CID 129017531) has the molecular formula C24H28ClN5O2 and a molecular weight of 453.97 g/mol. Its IUPAC name is 5-chloro-4-[[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-4-[[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-2-carboxamide
PubChem CID129017531
Molecular FormulaC24H28ClN5O2
Molecular Weight453.97 g/mol
Exact Mass453.19
IUPAC Name5-chloro-4-[[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-2-carboxamide
SMILESCc1nn(C)cc1-c1ccc(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)nc(C)c2Cl)cn1
InChIInChI=1S/C24H28ClN5O2/c1-14-18(13-30(3)29-14)19-9-8-16(12-26-19)10-17-11-21(27-15(2)23(17)25)24(32)28-20-6-4-5-7-22(20)31/h8-9,11-13,20,22,31H,4-7,10H2,1-3H3,(H,28,32)/t20-,22-/m0/s1
InChIKeyFMALPAOQLOVRTB-UNMCSNQZSA-N
XLogP3.77
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 5-chloro-4-[[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-2-carboxamide (CID 129017531) is 5-chloro-4-[[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-4-[[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 5-chloro-4-[[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-2-carboxamide is Cc1nn(C)cc1-c1ccc(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)nc(C)c2Cl)cn1.
What is the InChIKey of 5-chloro-4-[[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-2-carboxamide?
The InChIKey is FMALPAOQLOVRTB-UNMCSNQZSA-N. The full InChI is InChI=1S/C24H28ClN5O2/c1-14-18(13-30(3)29-14)19-9-8-16(12-26-19)10-17-11-21(27-15(2)23(17)25)24(32)28-20-6-4-5-7-22(20)31/h8-9,11-13,20,22,31H,4-7,10H2,1-3H3,(H,28,32)/t20-,22-/m0/s1.
What are the key properties of 5-chloro-4-[[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-2-carboxamide?
5-chloro-4-[[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-2-carboxamide has a molecular weight of 453.97 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 129017531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).