N-[(1S)-1-cyclohexyl-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

C23H29N7O2 — CID 162362205

IUPACN-[(1S)-1-cyclohexyl-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1cnn(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCC2)nc1
InChIInChI=1S/C23H29N7O2/c1-15-13-26-30(3)21(15)17-9-10-19(24-14-17)27-23(32)20(16-7-5-4-6-8-16)28-22(31)18-11-12-25-29(18)2/h9-14,16,20H,4-8H2,1-3H3,(H,28,31)(H,24,27,32)/t20-/m0/s1
InChIKeyNGIBFOBUUAJPKJ-FQEVSTJZSA-N
MW435.53 g/mol
LogP2.84
Rot. Bonds6

About N-[(1S)-1-cyclohexyl-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

N-[(1S)-1-cyclohexyl-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 162362205) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexyl-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
PubChem CID162362205
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC NameN-[(1S)-1-cyclohexyl-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1cnn(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCC2)nc1
InChIInChI=1S/C23H29N7O2/c1-15-13-26-30(3)21(15)17-9-10-19(24-14-17)27-23(32)20(16-7-5-4-6-8-16)28-22(31)18-11-12-25-29(18)2/h9-14,16,20H,4-8H2,1-3H3,(H,28,31)(H,24,27,32)/t20-/m0/s1
InChIKeyNGIBFOBUUAJPKJ-FQEVSTJZSA-N
XLogP2.84
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexyl-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 162362205) is N-[(1S)-1-cyclohexyl-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexyl-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is Cc1cnn(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCC2)nc1.
What is the InChIKey of N-[(1S)-1-cyclohexyl-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is NGIBFOBUUAJPKJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-15-13-26-30(3)21(15)17-9-10-19(24-14-17)27-23(32)20(16-7-5-4-6-8-16)28-22(31)18-11-12-25-29(18)2/h9-14,16,20H,4-8H2,1-3H3,(H,28,31)(H,24,27,32)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexyl-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
N-[(1S)-1-cyclohexyl-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexyl-2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 162362205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).