4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-fluoropiperidine-1-carboxylic acid

C29H30F2N6O4 — CID 153410231

IUPAC4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-fluoropiperidine-1-carboxylic acid
SMILESCCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCN(C(=O)O)CC1
InChIInChI=1S/C29H30F2N6O4/c1-3-41-24-12-25-32-14-26(36(25)16-22(24)29(31)6-8-35(9-7-29)28(39)40)37-15-18(13-33-37)20-11-21(23(30)10-17(20)2)27(38)34-19-4-5-19/h10-16,19H,3-9H2,1-2H3,(H,34,38)(H,39,40)
InChIKeyGALAOPZFKLREDH-UHFFFAOYSA-N
MW564.59 g/mol
LogP4.86
Rot. Bonds7

About 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-fluoropiperidine-1-carboxylic acid

4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-fluoropiperidine-1-carboxylic acid (PubChem CID 153410231) has the molecular formula C29H30F2N6O4 and a molecular weight of 564.59 g/mol. Its IUPAC name is 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-fluoropiperidine-1-carboxylic acid
PubChem CID153410231
Molecular FormulaC29H30F2N6O4
Molecular Weight564.59 g/mol
Exact Mass564.23
IUPAC Name4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-fluoropiperidine-1-carboxylic acid
SMILESCCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCN(C(=O)O)CC1
InChIInChI=1S/C29H30F2N6O4/c1-3-41-24-12-25-32-14-26(36(25)16-22(24)29(31)6-8-35(9-7-29)28(39)40)37-15-18(13-33-37)20-11-21(23(30)10-17(20)2)27(38)34-19-4-5-19/h10-16,19H,3-9H2,1-2H3,(H,34,38)(H,39,40)
InChIKeyGALAOPZFKLREDH-UHFFFAOYSA-N
XLogP4.86
TPSA113.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.59
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-fluoropiperidine-1-carboxylic acid with MolForge

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Related Compounds

Bay-1217389
CID 78320750
N-cyclopropyl-4-[5-(3-fluorophenoxy)-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
CID 118452766
US10138241, Example 94
CID 134328409
N-cyclopropyl-4-[6-(3-fluoro-4-methoxyphenoxy)-8-(oxetan-3-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 78320433
N-cyclopropyl-4-{6-(2,3-difluoro-4-methoxyphenoxy)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-2-methylbenzamide
CID 90381523
US10138241, Example 101
CID 134328431
US10138241, Example 81-1
CID 134328444
US10138241, Example 95
CID 134328445
US10138241, Example 71
CID 134328446
US10138241, Example 81-2
CID 134328464
US10138241, Example 1
CID 134328472
US10138241, Example 75
CID 134328489

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-fluoropiperidine-1-carboxylic acid?
The IUPAC name of 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-fluoropiperidine-1-carboxylic acid (CID 153410231) is 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-fluoropiperidine-1-carboxylic acid is CCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCN(C(=O)O)CC1.
What is the InChIKey of 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-fluoropiperidine-1-carboxylic acid?
The InChIKey is GALAOPZFKLREDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N6O4/c1-3-41-24-12-25-32-14-26(36(25)16-22(24)29(31)6-8-35(9-7-29)28(39)40)37-15-18(13-33-37)20-11-21(23(30)10-17(20)2)27(38)34-19-4-5-19/h10-16,19H,3-9H2,1-2H3,(H,34,38)(H,39,40).
What are the key properties of 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-fluoropiperidine-1-carboxylic acid?
4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-fluoropiperidine-1-carboxylic acid has a molecular weight of 564.59 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 153410231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).