1-[4-[4-[3-methyl-4-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]-4,5-dihydro-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

C30H30N4O4 — CID 123349482

IUPAC1-[4-[4-[3-methyl-4-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]-4,5-dihydro-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCC1=NOC(c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)C1Nc1cccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C30H30N4O4/c1-19-26(32-25-6-4-5-24(31-25)28(35)34-17-2-3-18-34)27(38-33-19)22-9-7-20(8-10-22)21-11-13-23(14-12-21)30(15-16-30)29(36)37/h4-14,26-27H,2-3,15-18H2,1H3,(H,31,32)(H,36,37)
InChIKeyPNUHIIYAYPYONZ-UHFFFAOYSA-N
MW510.59 g/mol
LogP5.03
Rot. Bonds7

About 1-[4-[4-[3-methyl-4-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]-4,5-dihydro-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

1-[4-[4-[3-methyl-4-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]-4,5-dihydro-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 123349482) has the molecular formula C30H30N4O4 and a molecular weight of 510.59 g/mol. Its IUPAC name is 1-[4-[4-[3-methyl-4-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]-4,5-dihydro-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[4-[3-methyl-4-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]-4,5-dihydro-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID123349482
Molecular FormulaC30H30N4O4
Molecular Weight510.59 g/mol
Exact Mass510.23
IUPAC Name1-[4-[4-[3-methyl-4-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]-4,5-dihydro-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCC1=NOC(c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)C1Nc1cccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C30H30N4O4/c1-19-26(32-25-6-4-5-24(31-25)28(35)34-17-2-3-18-34)27(38-33-19)22-9-7-20(8-10-22)21-11-13-23(14-12-21)30(15-16-30)29(36)37/h4-14,26-27H,2-3,15-18H2,1H3,(H,31,32)(H,36,37)
InChIKeyPNUHIIYAYPYONZ-UHFFFAOYSA-N
XLogP5.03
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-[3-methyl-4-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]-4,5-dihydro-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-[3-methyl-4-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 51347723
[6-(cyclopropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 84570721
1-[4-[4-[3-methyl-4-(1-phenylpropan-2-yloxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 126659601
azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498168
ethyl 4-[6-(azepane-1-carbonyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109098906
piperidin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 62239787
6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285
ethyl 1-[6-(cyclopropylamino)pyridine-2-carbonyl]piperidine-3-carboxylate
CID 84571140
1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 45338261
1-(5-cyano-6-methylpyridine-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119112051
1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 84570333
1-(5-tert-butyl-1,2-oxazole-3-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168191

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-methyl-4-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]-4,5-dihydro-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[4-[3-methyl-4-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]-4,5-dihydro-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 123349482) is 1-[4-[4-[3-methyl-4-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]-4,5-dihydro-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[4-[3-methyl-4-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]-4,5-dihydro-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[4-[3-methyl-4-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]-4,5-dihydro-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is CC1=NOC(c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)C1Nc1cccc(C(=O)N2CCCC2)n1.
What is the InChIKey of 1-[4-[4-[3-methyl-4-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]-4,5-dihydro-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is PNUHIIYAYPYONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4/c1-19-26(32-25-6-4-5-24(31-25)28(35)34-17-2-3-18-34)27(38-33-19)22-9-7-20(8-10-22)21-11-13-23(14-12-21)30(15-16-30)29(36)37/h4-14,26-27H,2-3,15-18H2,1H3,(H,31,32)(H,36,37).
What are the key properties of 1-[4-[4-[3-methyl-4-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]-4,5-dihydro-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[4-[3-methyl-4-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]-4,5-dihydro-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 510.59 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-methyl-4-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]-4,5-dihydro-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 123349482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).