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

C25H27FN6O2 — CID 134328445

IUPACN-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1CN(C)C
InChIInChI=1S/C25H27FN6O2/c1-15-7-21(26)20(25(33)29-18-5-6-18)8-19(15)16-10-28-32(14-16)24-11-27-23-9-22(34-4)17(12-30(2)3)13-31(23)24/h7-11,13-14,18H,5-6,12H2,1-4H3,(H,29,33)
InChIKeyPZSHBSITOWTWIX-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.60
Rot. Bonds7

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

N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (PubChem CID 134328445) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
PubChem CID134328445
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC NameN-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1CN(C)C
InChIInChI=1S/C25H27FN6O2/c1-15-7-21(26)20(25(33)29-18-5-6-18)8-19(15)16-10-28-32(14-16)24-11-27-23-9-22(34-4)17(12-30(2)3)13-31(23)24/h7-11,13-14,18H,5-6,12H2,1-4H3,(H,29,33)
InChIKeyPZSHBSITOWTWIX-UHFFFAOYSA-N
XLogP3.60
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.60
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)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (CID 134328445) is N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[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)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1CN(C)C.
What is the InChIKey of N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The InChIKey is PZSHBSITOWTWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O2/c1-15-7-21(26)20(25(33)29-18-5-6-18)8-19(15)16-10-28-32(14-16)24-11-27-23-9-22(34-4)17(12-30(2)3)13-31(23)24/h7-11,13-14,18H,5-6,12H2,1-4H3,(H,29,33).
What are the key properties of N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide has a molecular weight of 462.53 g/mol, XLogP of 3.60, 7 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)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 134328445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).