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

C29H31FN6O5 — CID 134328609

IUPAC4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylic acid
SMILESCCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(O)CCN(C(=O)O)CC1
InChIInChI=1S/C29H31FN6O5/c1-3-41-24-12-25-31-14-26(35(25)16-22(24)29(40)6-8-34(9-7-29)28(38)39)36-15-18(13-32-36)20-11-21(23(30)10-17(20)2)27(37)33-19-4-5-19/h10-16,19,40H,3-9H2,1-2H3,(H,33,37)(H,38,39)
InChIKeyGVMBCUADSWLHQA-UHFFFAOYSA-N
MW562.60 g/mol
LogP3.89
Rot. Bonds7

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

4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylic acid (PubChem CID 134328609) has the molecular formula C29H31FN6O5 and a molecular weight of 562.60 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-hydroxypiperidine-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-hydroxypiperidine-1-carboxylic acid
PubChem CID134328609
Molecular FormulaC29H31FN6O5
Molecular Weight562.60 g/mol
Exact Mass562.23
IUPAC Name4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylic acid
SMILESCCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(O)CCN(C(=O)O)CC1
InChIInChI=1S/C29H31FN6O5/c1-3-41-24-12-25-31-14-26(35(25)16-22(24)29(40)6-8-34(9-7-29)28(38)39)36-15-18(13-32-36)20-11-21(23(30)10-17(20)2)27(37)33-19-4-5-19/h10-16,19,40H,3-9H2,1-2H3,(H,33,37)(H,38,39)
InChIKeyGVMBCUADSWLHQA-UHFFFAOYSA-N
XLogP3.89
TPSA134.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.60
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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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-hydroxypiperidine-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-hydroxypiperidine-1-carboxylic acid (CID 134328609) is 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-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-hydroxypiperidine-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-hydroxypiperidine-1-carboxylic acid is CCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(O)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-hydroxypiperidine-1-carboxylic acid?
The InChIKey is GVMBCUADSWLHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN6O5/c1-3-41-24-12-25-31-14-26(35(25)16-22(24)29(40)6-8-34(9-7-29)28(38)39)36-15-18(13-32-36)20-11-21(23(30)10-17(20)2)27(37)33-19-4-5-19/h10-16,19,40H,3-9H2,1-2H3,(H,33,37)(H,38,39).
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-hydroxypiperidine-1-carboxylic acid?
4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylic acid has a molecular weight of 562.60 g/mol, XLogP of 3.89, 7 rotatable bonds, 3 hydrogen bond donors, and 8 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-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 134328609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).