N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide

C25H27FN6O2 — CID 134328447

IUPACN-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCOc1cc2nc(C)c(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1N(C)C
InChIInChI=1S/C25H27FN6O2/c1-14-8-20(26)19(24(33)29-17-6-7-17)9-18(14)16-11-27-32(12-16)25-15(2)28-23-10-22(34-5)21(30(3)4)13-31(23)25/h8-13,17H,6-7H2,1-5H3,(H,29,33)
InChIKeyZZJASABLRWLEJB-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.91
Rot. Bonds6

About N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide

N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (PubChem CID 134328447) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
PubChem CID134328447
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC NameN-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCOc1cc2nc(C)c(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1N(C)C
InChIInChI=1S/C25H27FN6O2/c1-14-8-20(26)19(24(33)29-17-6-7-17)9-18(14)16-11-27-32(12-16)25-15(2)28-23-10-22(34-5)21(30(3)4)13-31(23)25/h8-13,17H,6-7H2,1-5H3,(H,29,33)
InChIKeyZZJASABLRWLEJB-UHFFFAOYSA-N
XLogP3.91
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (CID 134328447) is N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is COc1cc2nc(C)c(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1N(C)C.
What is the InChIKey of N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The InChIKey is ZZJASABLRWLEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O2/c1-14-8-20(26)19(24(33)29-17-6-7-17)9-18(14)16-11-27-32(12-16)25-15(2)28-23-10-22(34-5)21(30(3)4)13-31(23)25/h8-13,17H,6-7H2,1-5H3,(H,29,33).
What are the key properties of N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide has a molecular weight of 462.53 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[1-[6-(dimethylamino)-7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 134328447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).