(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(quinoline-4-carbonylamino)acetic acid

C17H16N4O3 — CID 95189770

IUPAC(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(quinoline-4-carbonylamino)acetic acid
SMILESCc1n[nH]c(C)c1[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)O
InChIInChI=1S/C17H16N4O3/c1-9-14(10(2)21-20-9)15(17(23)24)19-16(22)12-7-8-18-13-6-4-3-5-11(12)13/h3-8,15H,1-2H3,(H,19,22)(H,20,21)(H,23,24)/t15-/m1/s1
InChIKeyJITNIOGYIWZYLK-OAHLLOKOSA-N
MW324.34 g/mol
LogP2.13
Rot. Bonds4

About (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(quinoline-4-carbonylamino)acetic acid

(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(quinoline-4-carbonylamino)acetic acid (PubChem CID 95189770) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(quinoline-4-carbonylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(quinoline-4-carbonylamino)acetic acid
PubChem CID95189770
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(quinoline-4-carbonylamino)acetic acid
SMILESCc1n[nH]c(C)c1[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)O
InChIInChI=1S/C17H16N4O3/c1-9-14(10(2)21-20-9)15(17(23)24)19-16(22)12-7-8-18-13-6-4-3-5-11(12)13/h3-8,15H,1-2H3,(H,19,22)(H,20,21)(H,23,24)/t15-/m1/s1
InChIKeyJITNIOGYIWZYLK-OAHLLOKOSA-N
XLogP2.13
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(quinoline-4-carbonylamino)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

Related Compounds

(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indazole-3-carbonylamino)acetic acid
CID 95207525
(2S)-2-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 95218140
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[2-(1,1,2,2-tetrafluoroethoxy)benzoyl]amino]acetic acid
CID 50980348
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717
2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 50980967
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
(2R)-2-[(2,3-difluoro-4-methoxybenzoyl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 95209759
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2,7,8-trimethylquinoline-4-carbonyl)amino]acetic acid
CID 95563959
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide
CID 103725802
2-[[4-(dimethylamino)benzoyl]amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 50977840
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetic acid
CID 50952889
(2R)-2-(quinoline-5-carbonylamino)propanoic acid
CID 54990837

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(quinoline-4-carbonylamino)acetic acid?
The IUPAC name of (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(quinoline-4-carbonylamino)acetic acid (CID 95189770) is (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(quinoline-4-carbonylamino)acetic acid.
What is the SMILES notation for (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(quinoline-4-carbonylamino)acetic acid?
The canonical SMILES for (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(quinoline-4-carbonylamino)acetic acid is Cc1n[nH]c(C)c1[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)O.
What is the InChIKey of (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(quinoline-4-carbonylamino)acetic acid?
The InChIKey is JITNIOGYIWZYLK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-9-14(10(2)21-20-9)15(17(23)24)19-16(22)12-7-8-18-13-6-4-3-5-11(12)13/h3-8,15H,1-2H3,(H,19,22)(H,20,21)(H,23,24)/t15-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(quinoline-4-carbonylamino)acetic acid?
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(quinoline-4-carbonylamino)acetic acid has a molecular weight of 324.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(quinoline-4-carbonylamino)acetic acid is sourced from PubChem (CID 95189770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).