2-[[2-[[3-(4-fluorophenyl)pyrrol-1-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbonyl]amino]acetic acid

C19H17FN4O4 — CID 58257682

IUPAC2-[[2-[[3-(4-fluorophenyl)pyrrol-1-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbonyl]amino]acetic acid
SMILESCc1nc(Cn2ccc(-c3ccc(F)cc3)c2)nc(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C19H17FN4O4/c1-11-18(27)17(19(28)21-8-16(25)26)23-15(22-11)10-24-7-6-13(9-24)12-2-4-14(20)5-3-12/h2-7,9,27H,8,10H2,1H3,(H,21,28)(H,25,26)
InChIKeyLIRWYTCVGFVNBO-UHFFFAOYSA-N
MW384.37 g/mol
LogP1.96
Rot. Bonds6

About 2-[[2-[[3-(4-fluorophenyl)pyrrol-1-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbonyl]amino]acetic acid

2-[[2-[[3-(4-fluorophenyl)pyrrol-1-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbonyl]amino]acetic acid (PubChem CID 58257682) has the molecular formula C19H17FN4O4 and a molecular weight of 384.37 g/mol. Its IUPAC name is 2-[[2-[[3-(4-fluorophenyl)pyrrol-1-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[3-(4-fluorophenyl)pyrrol-1-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbonyl]amino]acetic acid
PubChem CID58257682
Molecular FormulaC19H17FN4O4
Molecular Weight384.37 g/mol
Exact Mass384.12
IUPAC Name2-[[2-[[3-(4-fluorophenyl)pyrrol-1-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbonyl]amino]acetic acid
SMILESCc1nc(Cn2ccc(-c3ccc(F)cc3)c2)nc(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C19H17FN4O4/c1-11-18(27)17(19(28)21-8-16(25)26)23-15(22-11)10-24-7-6-13(9-24)12-2-4-14(20)5-3-12/h2-7,9,27H,8,10H2,1H3,(H,21,28)(H,25,26)
InChIKeyLIRWYTCVGFVNBO-UHFFFAOYSA-N
XLogP1.96
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[[3-(4-fluorophenyl)pyrrol-1-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbonyl]amino]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[3-(4-fluorophenyl)pyrrol-1-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[3-(4-fluorophenyl)pyrrol-1-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbonyl]amino]acetic acid (CID 58257682) is 2-[[2-[[3-(4-fluorophenyl)pyrrol-1-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[3-(4-fluorophenyl)pyrrol-1-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[3-(4-fluorophenyl)pyrrol-1-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbonyl]amino]acetic acid is Cc1nc(Cn2ccc(-c3ccc(F)cc3)c2)nc(C(=O)NCC(=O)O)c1O.
What is the InChIKey of 2-[[2-[[3-(4-fluorophenyl)pyrrol-1-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbonyl]amino]acetic acid?
The InChIKey is LIRWYTCVGFVNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4/c1-11-18(27)17(19(28)21-8-16(25)26)23-15(22-11)10-24-7-6-13(9-24)12-2-4-14(20)5-3-12/h2-7,9,27H,8,10H2,1H3,(H,21,28)(H,25,26).
What are the key properties of 2-[[2-[[3-(4-fluorophenyl)pyrrol-1-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbonyl]amino]acetic acid?
2-[[2-[[3-(4-fluorophenyl)pyrrol-1-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbonyl]amino]acetic acid has a molecular weight of 384.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[3-(4-fluorophenyl)pyrrol-1-yl]methyl]-5-hydroxy-6-methylpyrimidine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 58257682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).