N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide

C27H28FN7O2 — CID 134328592

IUPACN-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(=O)N4CCN(C)CC4)cn23)c1
InChIInChI=1S/C27H28FN7O2/c1-17-11-23(28)22(26(36)31-20-4-5-20)12-21(17)19-13-30-35(16-19)25-14-29-24-6-3-18(15-34(24)25)27(37)33-9-7-32(2)8-10-33/h3,6,11-16,20H,4-5,7-10H2,1-2H3,(H,31,36)
InChIKeyJJXPIITYTZCYTO-UHFFFAOYSA-N
MW501.57 g/mol
LogP2.91
Rot. Bonds5

About N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide

N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide (PubChem CID 134328592) has the molecular formula C27H28FN7O2 and a molecular weight of 501.57 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
PubChem CID134328592
Molecular FormulaC27H28FN7O2
Molecular Weight501.57 g/mol
Exact Mass501.23
IUPAC NameN-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(=O)N4CCN(C)CC4)cn23)c1
InChIInChI=1S/C27H28FN7O2/c1-17-11-23(28)22(26(36)31-20-4-5-20)12-21(17)19-13-30-35(16-19)25-14-29-24-6-3-18(15-34(24)25)27(37)33-9-7-32(2)8-10-33/h3,6,11-16,20H,4-5,7-10H2,1-2H3,(H,31,36)
InChIKeyJJXPIITYTZCYTO-UHFFFAOYSA-N
XLogP2.91
TPSA87.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.57
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide (CID 134328592) is N-cyclopropyl-2-fluoro-4-methyl-5-[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-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide is Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(=O)N4CCN(C)CC4)cn23)c1.
What is the InChIKey of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
The InChIKey is JJXPIITYTZCYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN7O2/c1-17-11-23(28)22(26(36)31-20-4-5-20)12-21(17)19-13-30-35(16-19)25-14-29-24-6-3-18(15-34(24)25)27(37)33-9-7-32(2)8-10-33/h3,6,11-16,20H,4-5,7-10H2,1-2H3,(H,31,36).
What are the key properties of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide has a molecular weight of 501.57 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134328592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).