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

C29H32F2N6O2 — CID 134328431

IUPACN-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCCN1CCC(F)(c2cn3c(-n4cc(-c5cc(C(=O)NC6CC6)c(F)cc5C)cn4)cnc3cc2OC)CC1
InChIInChI=1S/C29H32F2N6O2/c1-4-35-9-7-29(31,8-10-35)23-17-36-26(13-25(23)39-3)32-15-27(36)37-16-19(14-33-37)21-12-22(24(30)11-18(21)2)28(38)34-20-5-6-20/h11-17,20H,4-10H2,1-3H3,(H,34,38)
InChIKeyBGBQHJTZPPKKSO-UHFFFAOYSA-N
MW534.61 g/mol
LogP4.82
Rot. Bonds7

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

N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (PubChem CID 134328431) has the molecular formula C29H32F2N6O2 and a molecular weight of 534.61 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
PubChem CID134328431
Molecular FormulaC29H32F2N6O2
Molecular Weight534.61 g/mol
Exact Mass534.26
IUPAC NameN-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCCN1CCC(F)(c2cn3c(-n4cc(-c5cc(C(=O)NC6CC6)c(F)cc5C)cn4)cnc3cc2OC)CC1
InChIInChI=1S/C29H32F2N6O2/c1-4-35-9-7-29(31,8-10-35)23-17-36-26(13-25(23)39-3)32-15-27(36)37-16-19(14-33-37)21-12-22(24(30)11-18(21)2)28(38)34-20-5-6-20/h11-17,20H,4-10H2,1-3H3,(H,34,38)
InChIKeyBGBQHJTZPPKKSO-UHFFFAOYSA-N
XLogP4.82
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.61
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Bay-1217389
CID 78320750
N-Cyclopropyl-2-Methyl-4-(7-{[2-(Morpholin-4-Yl)ethyl]amino}-5-Phenoxypyrazolo[1,5-A]pyrimidin-3-Yl)benzamide
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N-cyclopropyl-4-[6-[difluoro-(4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
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N-Cyclopropyl-4-{6-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-8-[(3, 3,3-trifluoropropyl)amino]imidazo[1, 2-b]pyridazin-3-yl}-2-methylbenzamide
CID 71737355
N-cyclopropyl-4-[5-(3-fluorophenoxy)-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
CID 118452766
5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[(1S)-1-(4-methoxy-2-pyridinyl)ethyl]-7-[(2-methylimidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1-one
CID 149503094
2-((4-Methoxypyridin-2-YL)methyl)-7-((2-methyl-1H-imidazol-1-YL)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-YL)-3,4-dihydroisoquinolin-1(2H)-one
CID 153572459
2-[(S)-cyclopropyl-(4-methoxypyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-7-(imidazol-1-ylmethyl)-3,4-dihydroisoquinolin-1-one
CID 153572492
US10138241, Example 94
CID 134328409
2-[(R)-cyclopropyl-(4-methoxy-2-pyridinyl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-7-(imidazol-1-ylmethyl)-3,4-dihydroisoquinolin-1-one
CID 168268943
5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-7-(imidazol-1-ylmethyl)-2-[(1R)-1-(4-methoxy-2-pyridinyl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 168276711
5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[(1R)-1-(4-methoxy-2-pyridinyl)ethyl]-7-[(2-methylimidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1-one
CID 168277456

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (CID 134328431) is N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-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-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is CCN1CCC(F)(c2cn3c(-n4cc(-c5cc(C(=O)NC6CC6)c(F)cc5C)cn4)cnc3cc2OC)CC1.
What is the InChIKey of N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The InChIKey is BGBQHJTZPPKKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N6O2/c1-4-35-9-7-29(31,8-10-35)23-17-36-26(13-25(23)39-3)32-15-27(36)37-16-19(14-33-37)21-12-22(24(30)11-18(21)2)28(38)34-20-5-6-20/h11-17,20H,4-10H2,1-3H3,(H,34,38).
What are the key properties of N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide has a molecular weight of 534.61 g/mol, XLogP of 4.82, 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-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 134328431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).