N-[(1S)-1-cycloheptyl-2-oxo-2-[[5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide

C25H33N7O2 — CID 162362225

IUPACN-[(1S)-1-cycloheptyl-2-oxo-2-[[5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1nn(C)c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCCC2)nc1
InChIInChI=1S/C25H33N7O2/c1-16-22(17(2)31(3)30-16)19-11-12-21(26-15-19)28-25(34)23(18-9-7-5-6-8-10-18)29-24(33)20-13-14-27-32(20)4/h11-15,18,23H,5-10H2,1-4H3,(H,29,33)(H,26,28,34)/t23-/m0/s1
InChIKeyJWWSXBONQWRLCE-QHCPKHFHSA-N
MW463.59 g/mol
LogP3.54
Rot. Bonds6

About N-[(1S)-1-cycloheptyl-2-oxo-2-[[5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide

N-[(1S)-1-cycloheptyl-2-oxo-2-[[5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 162362225) has the molecular formula C25H33N7O2 and a molecular weight of 463.59 g/mol. Its IUPAC name is N-[(1S)-1-cycloheptyl-2-oxo-2-[[5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cycloheptyl-2-oxo-2-[[5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide
PubChem CID162362225
Molecular FormulaC25H33N7O2
Molecular Weight463.59 g/mol
Exact Mass463.27
IUPAC NameN-[(1S)-1-cycloheptyl-2-oxo-2-[[5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1nn(C)c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCCC2)nc1
InChIInChI=1S/C25H33N7O2/c1-16-22(17(2)31(3)30-16)19-11-12-21(26-15-19)28-25(34)23(18-9-7-5-6-8-10-18)29-24(33)20-13-14-27-32(20)4/h11-15,18,23H,5-10H2,1-4H3,(H,29,33)(H,26,28,34)/t23-/m0/s1
InChIKeyJWWSXBONQWRLCE-QHCPKHFHSA-N
XLogP3.54
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cycloheptyl-2-oxo-2-[[5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-cycloheptyl-2-oxo-2-[[5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide (CID 162362225) is N-[(1S)-1-cycloheptyl-2-oxo-2-[[5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cycloheptyl-2-oxo-2-[[5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cycloheptyl-2-oxo-2-[[5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide is Cc1nn(C)c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCCC2)nc1.
What is the InChIKey of N-[(1S)-1-cycloheptyl-2-oxo-2-[[5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is JWWSXBONQWRLCE-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H33N7O2/c1-16-22(17(2)31(3)30-16)19-11-12-21(26-15-19)28-25(34)23(18-9-7-5-6-8-10-18)29-24(33)20-13-14-27-32(20)4/h11-15,18,23H,5-10H2,1-4H3,(H,29,33)(H,26,28,34)/t23-/m0/s1.
What are the key properties of N-[(1S)-1-cycloheptyl-2-oxo-2-[[5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide?
N-[(1S)-1-cycloheptyl-2-oxo-2-[[5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 463.59 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cycloheptyl-2-oxo-2-[[5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 162362225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).