2-[[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]amino]acetic acid

C20H20FN5O3 — CID 46869362

IUPAC2-[[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]amino]acetic acid
SMILESCn1nc(-c2ccncc2)cc1NC(=O)[C@H](Cc1ccc(F)cc1)NCC(=O)O
InChIInChI=1S/C20H20FN5O3/c1-26-18(11-16(25-26)14-6-8-22-9-7-14)24-20(29)17(23-12-19(27)28)10-13-2-4-15(21)5-3-13/h2-9,11,17,23H,10,12H2,1H3,(H,24,29)(H,27,28)/t17-/m0/s1
InChIKeyGAWYWVUAZPIMKA-KRWDZBQOSA-N
MW397.41 g/mol
LogP1.85
Rot. Bonds8

About 2-[[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]amino]acetic acid

2-[[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]amino]acetic acid (PubChem CID 46869362) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is 2-[[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]amino]acetic acid
PubChem CID46869362
Molecular FormulaC20H20FN5O3
Molecular Weight397.41 g/mol
Exact Mass397.16
IUPAC Name2-[[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]amino]acetic acid
SMILESCn1nc(-c2ccncc2)cc1NC(=O)[C@H](Cc1ccc(F)cc1)NCC(=O)O
InChIInChI=1S/C20H20FN5O3/c1-26-18(11-16(25-26)14-6-8-22-9-7-14)24-20(29)17(23-12-19(27)28)10-13-2-4-15(21)5-3-13/h2-9,11,17,23H,10,12H2,1H3,(H,24,29)(H,27,28)/t17-/m0/s1
InChIKeyGAWYWVUAZPIMKA-KRWDZBQOSA-N
XLogP1.85
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]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-[[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]amino]acetic acid (CID 46869362) is 2-[[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]amino]acetic acid is Cn1nc(-c2ccncc2)cc1NC(=O)[C@H](Cc1ccc(F)cc1)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]amino]acetic acid?
The InChIKey is GAWYWVUAZPIMKA-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20FN5O3/c1-26-18(11-16(25-26)14-6-8-22-9-7-14)24-20(29)17(23-12-19(27)28)10-13-2-4-15(21)5-3-13/h2-9,11,17,23H,10,12H2,1H3,(H,24,29)(H,27,28)/t17-/m0/s1.
What are the key properties of 2-[[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]amino]acetic acid?
2-[[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]amino]acetic acid has a molecular weight of 397.41 g/mol, XLogP of 1.85, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]amino]acetic acid is sourced from PubChem (CID 46869362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).