N-cyclopropyl-4-methyl-3-[1-[5-[1-(2-oxopyrrolidin-1-yl)ethyl]-3-pyridinyl]pyrazol-4-yl]benzamide

C25H27N5O2 — CID 134325391

IUPACN-cyclopropyl-4-methyl-3-[1-[5-[1-(2-oxopyrrolidin-1-yl)ethyl]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(C(C)N3CCCC3=O)c2)c1
InChIInChI=1S/C25H27N5O2/c1-16-5-6-18(25(32)28-21-7-8-21)11-23(16)20-13-27-30(15-20)22-10-19(12-26-14-22)17(2)29-9-3-4-24(29)31/h5-6,10-15,17,21H,3-4,7-9H2,1-2H3,(H,28,32)
InChIKeyJMURWDQQEUGGMZ-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.82
Rot. Bonds6

About N-cyclopropyl-4-methyl-3-[1-[5-[1-(2-oxopyrrolidin-1-yl)ethyl]-3-pyridinyl]pyrazol-4-yl]benzamide

N-cyclopropyl-4-methyl-3-[1-[5-[1-(2-oxopyrrolidin-1-yl)ethyl]-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 134325391) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-[5-[1-(2-oxopyrrolidin-1-yl)ethyl]-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-[5-[1-(2-oxopyrrolidin-1-yl)ethyl]-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID134325391
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-cyclopropyl-4-methyl-3-[1-[5-[1-(2-oxopyrrolidin-1-yl)ethyl]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(C(C)N3CCCC3=O)c2)c1
InChIInChI=1S/C25H27N5O2/c1-16-5-6-18(25(32)28-21-7-8-21)11-23(16)20-13-27-30(15-20)22-10-19(12-26-14-22)17(2)29-9-3-4-24(29)31/h5-6,10-15,17,21H,3-4,7-9H2,1-2H3,(H,28,32)
InChIKeyJMURWDQQEUGGMZ-UHFFFAOYSA-N
XLogP3.82
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-[1-(2-oxopyrrolidin-1-yl)ethyl]-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-[1-(2-oxopyrrolidin-1-yl)ethyl]-3-pyridinyl]pyrazol-4-yl]benzamide (CID 134325391) is N-cyclopropyl-4-methyl-3-[1-[5-[1-(2-oxopyrrolidin-1-yl)ethyl]-3-pyridinyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-[5-[1-(2-oxopyrrolidin-1-yl)ethyl]-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-[5-[1-(2-oxopyrrolidin-1-yl)ethyl]-3-pyridinyl]pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(C(C)N3CCCC3=O)c2)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-[5-[1-(2-oxopyrrolidin-1-yl)ethyl]-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is JMURWDQQEUGGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-16-5-6-18(25(32)28-21-7-8-21)11-23(16)20-13-27-30(15-20)22-10-19(12-26-14-22)17(2)29-9-3-4-24(29)31/h5-6,10-15,17,21H,3-4,7-9H2,1-2H3,(H,28,32).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-[5-[1-(2-oxopyrrolidin-1-yl)ethyl]-3-pyridinyl]pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-[5-[1-(2-oxopyrrolidin-1-yl)ethyl]-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[1-[5-[1-(2-oxopyrrolidin-1-yl)ethyl]-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134325391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).