N-cyclopropyl-4-methyl-3-[1-[6-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide

C26H26N6O3 — CID 134328471

IUPACN-cyclopropyl-4-methyl-3-[1-[6-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(=O)N4CCOCC4)cn23)c1
InChIInChI=1S/C26H26N6O3/c1-17-2-3-18(25(33)29-21-5-6-21)12-22(17)20-13-28-32(16-20)24-14-27-23-7-4-19(15-31(23)24)26(34)30-8-10-35-11-9-30/h2-4,7,12-16,21H,5-6,8-11H2,1H3,(H,29,33)
InChIKeyYZZJPYNOHIPAOH-UHFFFAOYSA-N
MW470.53 g/mol
LogP2.86
Rot. Bonds5

About N-cyclopropyl-4-methyl-3-[1-[6-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide

N-cyclopropyl-4-methyl-3-[1-[6-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide (PubChem CID 134328471) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-[6-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-[6-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
PubChem CID134328471
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC NameN-cyclopropyl-4-methyl-3-[1-[6-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(=O)N4CCOCC4)cn23)c1
InChIInChI=1S/C26H26N6O3/c1-17-2-3-18(25(33)29-21-5-6-21)12-22(17)20-13-28-32(16-20)24-14-27-23-7-4-19(15-31(23)24)26(34)30-8-10-35-11-9-30/h2-4,7,12-16,21H,5-6,8-11H2,1H3,(H,29,33)
InChIKeyYZZJPYNOHIPAOH-UHFFFAOYSA-N
XLogP2.86
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[1-[6-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-[6-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide (CID 134328471) is N-cyclopropyl-4-methyl-3-[1-[6-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-[6-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-[6-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(=O)N4CCOCC4)cn23)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-[6-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
The InChIKey is YZZJPYNOHIPAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-17-2-3-18(25(33)29-21-5-6-21)12-22(17)20-13-28-32(16-20)24-14-27-23-7-4-19(15-31(23)24)26(34)30-8-10-35-11-9-30/h2-4,7,12-16,21H,5-6,8-11H2,1H3,(H,29,33).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-[6-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-[6-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide has a molecular weight of 470.53 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[1-[6-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134328471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).