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

C56H61ClF4N12O4 — CID 157074138

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;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride
SMILESCCN1CCC(F)(c2cn3c(-n4cc(-c5cc(C(=O)NC6CC6)c(F)cc5C)cn4)cnc3cc2OC)CC1.COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCNCC1.Cl
InChIInChI=1S/C29H32F2N6O2.C27H28F2N6O2.ClH/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;1-16-9-22(28)20(26(36)33-18-3-4-18)10-19(16)17-12-32-35(14-17)25-13-31-24-11-23(37-2)21(15-34(24)25)27(29)5-7-30-8-6-27;/h11-17,20H,4-10H2,1-3H3,(H,34,38);9-15,18,30H,3-8H2,1-2H3,(H,33,36);1H
InChIKeyPIVULKABJXCMJF-UHFFFAOYSA-N
MW1077.63 g/mol
LogP9.32
Rot. Bonds13

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

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-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride (PubChem CID 157074138) has the molecular formula C56H61ClF4N12O4 and a molecular weight of 1077.63 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;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride.

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;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride
PubChem CID157074138
Molecular FormulaC56H61ClF4N12O4
Molecular Weight1077.63 g/mol
Exact Mass1076.46
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;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride
SMILESCCN1CCC(F)(c2cn3c(-n4cc(-c5cc(C(=O)NC6CC6)c(F)cc5C)cn4)cnc3cc2OC)CC1.COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCNCC1.Cl
InChIInChI=1S/C29H32F2N6O2.C27H28F2N6O2.ClH/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;1-16-9-22(28)20(26(36)33-18-3-4-18)10-19(16)17-12-32-35(14-17)25-13-31-24-11-23(37-2)21(15-34(24)25)27(29)5-7-30-8-6-27;/h11-17,20H,4-10H2,1-3H3,(H,34,38);9-15,18,30H,3-8H2,1-2H3,(H,33,36);1H
InChIKeyPIVULKABJXCMJF-UHFFFAOYSA-N
XLogP9.32
TPSA162.17 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001077.63
LogP ≤ 59.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 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-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride with MolForge

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Related Compounds

US10138241, Example 94
CID 134328409
US10138241, Example 101
CID 134328431
US10138241, Example 95
CID 134328445
US10138241, Example 1
CID 134328472
US10138241, Example 96
CID 134328570
US10138241, Example 86
CID 134328486
Tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-4-fluoropiperidine-1-carboxylate
CID 134328422
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
N-cyclopropyl-2-fluoro-5-[[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]methyl]benzamide
CID 134328467
N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-3-methylbenzamide
CID 134328469
N-cyclopropyl-2-fluoro-5-[1-[6-(hydroxymethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
CID 134328533
Tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate
CID 134328534

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;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride?
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;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride (CID 157074138) 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;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride.
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;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride?
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;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride is CCN1CCC(F)(c2cn3c(-n4cc(-c5cc(C(=O)NC6CC6)c(F)cc5C)cn4)cnc3cc2OC)CC1.COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCNCC1.Cl.
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;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride?
The InChIKey is PIVULKABJXCMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N6O2.C27H28F2N6O2.ClH/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;1-16-9-22(28)20(26(36)33-18-3-4-18)10-19(16)17-12-32-35(14-17)25-13-31-24-11-23(37-2)21(15-34(24)25)27(29)5-7-30-8-6-27;/h11-17,20H,4-10H2,1-3H3,(H,34,38);9-15,18,30H,3-8H2,1-2H3,(H,33,36);1H.
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-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride?
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-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride has a molecular weight of 1077.63 g/mol, XLogP of 9.32, 13 rotatable bonds, 3 hydrogen bond donors, and 14 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;N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 157074138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).