2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid

C19H16ClN5O2 — CID 118237971

IUPAC2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid
SMILESCc1c(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)cnc(Cl)c1C(=O)O
InChIInChI=1S/C19H16ClN5O2/c1-10-13(9-23-17(20)16(10)19(26)27)12-4-6-21-15(8-12)24-14-5-7-22-18(25-14)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,26,27)(H,21,22,24,25)
InChIKeyRAMMAUFNZRRUIV-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.21
Rot. Bonds5

About 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid

2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid (PubChem CID 118237971) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid
PubChem CID118237971
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC Name2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid
SMILESCc1c(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)cnc(Cl)c1C(=O)O
InChIInChI=1S/C19H16ClN5O2/c1-10-13(9-23-17(20)16(10)19(26)27)12-4-6-21-15(8-12)24-14-5-7-22-18(25-14)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,26,27)(H,21,22,24,25)
InChIKeyRAMMAUFNZRRUIV-UHFFFAOYSA-N
XLogP4.21
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid (CID 118237971) is 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid is Cc1c(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)cnc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid?
The InChIKey is RAMMAUFNZRRUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c1-10-13(9-23-17(20)16(10)19(26)27)12-4-6-21-15(8-12)24-14-5-7-22-18(25-14)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,26,27)(H,21,22,24,25).
What are the key properties of 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid?
2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid has a molecular weight of 381.82 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 118237971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).