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

C24H25N5O2 — CID 134325401

IUPACN-cyclopropyl-4-methyl-3-[1-[5-(1-methyl-5-oxopyrrolidin-2-yl)-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(C3CCC(=O)N3C)c2)c1
InChIInChI=1S/C24H25N5O2/c1-15-3-4-16(24(31)27-19-5-6-19)10-21(15)18-12-26-29(14-18)20-9-17(11-25-13-20)22-7-8-23(30)28(22)2/h3-4,9-14,19,22H,5-8H2,1-2H3,(H,27,31)
InChIKeyFLHUMCQJXSYXKR-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.43
Rot. Bonds5

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

N-cyclopropyl-4-methyl-3-[1-[5-(1-methyl-5-oxopyrrolidin-2-yl)-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 134325401) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-[5-(1-methyl-5-oxopyrrolidin-2-yl)-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-[5-(1-methyl-5-oxopyrrolidin-2-yl)-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID134325401
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-cyclopropyl-4-methyl-3-[1-[5-(1-methyl-5-oxopyrrolidin-2-yl)-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(C3CCC(=O)N3C)c2)c1
InChIInChI=1S/C24H25N5O2/c1-15-3-4-16(24(31)27-19-5-6-19)10-21(15)18-12-26-29(14-18)20-9-17(11-25-13-20)22-7-8-23(30)28(22)2/h3-4,9-14,19,22H,5-8H2,1-2H3,(H,27,31)
InChIKeyFLHUMCQJXSYXKR-UHFFFAOYSA-N
XLogP3.43
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.43
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-methyl-5-oxopyrrolidin-2-yl)-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-(1-methyl-5-oxopyrrolidin-2-yl)-3-pyridinyl]pyrazol-4-yl]benzamide (CID 134325401) is N-cyclopropyl-4-methyl-3-[1-[5-(1-methyl-5-oxopyrrolidin-2-yl)-3-pyridinyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-[5-(1-methyl-5-oxopyrrolidin-2-yl)-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-[5-(1-methyl-5-oxopyrrolidin-2-yl)-3-pyridinyl]pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(C3CCC(=O)N3C)c2)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-[5-(1-methyl-5-oxopyrrolidin-2-yl)-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is FLHUMCQJXSYXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-15-3-4-16(24(31)27-19-5-6-19)10-21(15)18-12-26-29(14-18)20-9-17(11-25-13-20)22-7-8-23(30)28(22)2/h3-4,9-14,19,22H,5-8H2,1-2H3,(H,27,31).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-[5-(1-methyl-5-oxopyrrolidin-2-yl)-3-pyridinyl]pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-[5-(1-methyl-5-oxopyrrolidin-2-yl)-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 415.50 g/mol, XLogP of 3.43, 5 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-methyl-5-oxopyrrolidin-2-yl)-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134325401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).