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

C27H29N7O2 — CID 134328558

IUPACN-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(=O)N4CCN(C)CC4)cn23)c1
InChIInChI=1S/C27H29N7O2/c1-18-3-4-19(26(35)30-22-6-7-22)13-23(18)21-14-29-34(17-21)25-15-28-24-8-5-20(16-33(24)25)27(36)32-11-9-31(2)10-12-32/h3-5,8,13-17,22H,6-7,9-12H2,1-2H3,(H,30,35)
InChIKeyOIPZAWLYDPEBGV-UHFFFAOYSA-N
MW483.58 g/mol
LogP2.78
Rot. Bonds5

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

N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide (PubChem CID 134328558) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
PubChem CID134328558
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC NameN-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(=O)N4CCN(C)CC4)cn23)c1
InChIInChI=1S/C27H29N7O2/c1-18-3-4-19(26(35)30-22-6-7-22)13-23(18)21-14-29-34(17-21)25-15-28-24-8-5-20(16-33(24)25)27(36)32-11-9-31(2)10-12-32/h3-5,8,13-17,22H,6-7,9-12H2,1-2H3,(H,30,35)
InChIKeyOIPZAWLYDPEBGV-UHFFFAOYSA-N
XLogP2.78
TPSA87.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 52.78
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-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide (CID 134328558) is N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazine-1-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-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(=O)N4CCN(C)CC4)cn23)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
The InChIKey is OIPZAWLYDPEBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2/c1-18-3-4-19(26(35)30-22-6-7-22)13-23(18)21-14-29-34(17-21)25-15-28-24-8-5-20(16-33(24)25)27(36)32-11-9-31(2)10-12-32/h3-5,8,13-17,22H,6-7,9-12H2,1-2H3,(H,30,35).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide has a molecular weight of 483.58 g/mol, XLogP of 2.78, 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-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134328558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).