N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-methylpyrazole-3-carboxamide

C23H28ClN7O2 — CID 162362199

IUPACN-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(Cl)cnn2C)cn1)C1CCCCCC1
InChIInChI=1S/C23H28ClN7O2/c1-30-18(11-12-26-30)22(32)29-20(15-7-5-3-4-6-8-15)23(33)28-19-10-9-16(13-25-19)21-17(24)14-27-31(21)2/h9-15,20H,3-8H2,1-2H3,(H,29,32)(H,25,28,33)/t20-/m0/s1
InChIKeyJZEZOEZZAICNCH-FQEVSTJZSA-N
MW469.98 g/mol
LogP3.58
Rot. Bonds6

About N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-methylpyrazole-3-carboxamide

N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 162362199) has the molecular formula C23H28ClN7O2 and a molecular weight of 469.98 g/mol. Its IUPAC name is N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-methylpyrazole-3-carboxamide
PubChem CID162362199
Molecular FormulaC23H28ClN7O2
Molecular Weight469.98 g/mol
Exact Mass469.20
IUPAC NameN-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(Cl)cnn2C)cn1)C1CCCCCC1
InChIInChI=1S/C23H28ClN7O2/c1-30-18(11-12-26-30)22(32)29-20(15-7-5-3-4-6-8-15)23(33)28-19-10-9-16(13-25-19)21-17(24)14-27-31(21)2/h9-15,20H,3-8H2,1-2H3,(H,29,32)(H,25,28,33)/t20-/m0/s1
InChIKeyJZEZOEZZAICNCH-FQEVSTJZSA-N
XLogP3.58
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.98
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 162362199) is N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(Cl)cnn2C)cn1)C1CCCCCC1.
What is the InChIKey of N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is JZEZOEZZAICNCH-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28ClN7O2/c1-30-18(11-12-26-30)22(32)29-20(15-7-5-3-4-6-8-15)23(33)28-19-10-9-16(13-25-19)21-17(24)14-27-31(21)2/h9-15,20H,3-8H2,1-2H3,(H,29,32)(H,25,28,33)/t20-/m0/s1.
What are the key properties of N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 469.98 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 162362199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).