2-chloro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

C15H13ClN4O3 — CID 170327217

IUPAC2-chloro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
SMILESCC(C)(O)c1cccc(-n2c(C(=O)O)cc3cnc(Cl)nc32)n1
InChIInChI=1S/C15H13ClN4O3/c1-15(2,23)10-4-3-5-11(18-10)20-9(13(21)22)6-8-7-17-14(16)19-12(8)20/h3-7,23H,1-2H3,(H,21,22)
InChIKeyCDTPSVIDGPFVKR-UHFFFAOYSA-N
MW332.75 g/mol
LogP2.39
Rot. Bonds3

About 2-chloro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

2-chloro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 170327217) has the molecular formula C15H13ClN4O3 and a molecular weight of 332.75 g/mol. Its IUPAC name is 2-chloro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-chloro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID170327217
Molecular FormulaC15H13ClN4O3
Molecular Weight332.75 g/mol
Exact Mass332.07
IUPAC Name2-chloro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
SMILESCC(C)(O)c1cccc(-n2c(C(=O)O)cc3cnc(Cl)nc32)n1
InChIInChI=1S/C15H13ClN4O3/c1-15(2,23)10-4-3-5-11(18-10)20-9(13(21)22)6-8-7-17-14(16)19-12(8)20/h3-7,23H,1-2H3,(H,21,22)
InChIKeyCDTPSVIDGPFVKR-UHFFFAOYSA-N
XLogP2.39
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-chloro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine-6-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

2-[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]propan-2-ol
CID 155147006
2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 58315427
2-[6-[6-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol
CID 155147142
2-chloro-7-[(2S)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-3-methylbutyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 138646479
[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane
CID 155161161
2-chloro-7-[2-[[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]amino]ethyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 163513549
methyl 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 118997943
2-chloro-6-cyclopropyl-7-(6-methoxy-2-pyridinyl)pyrrolo[2,3-d]pyrimidine
CID 155146957
2-chloro-6-(diethoxymethyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine
CID 175961142
2-chloro-7-[[2-[ethylsulfonyl(methyl)amino]phenyl]methyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 175867036
2-[6-[6-tert-butyl-2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-2-ol
CID 155147113
1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-one
CID 151178724

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-chloro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid (CID 170327217) is 2-chloro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-chloro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-chloro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid is CC(C)(O)c1cccc(-n2c(C(=O)O)cc3cnc(Cl)nc32)n1.
What is the InChIKey of 2-chloro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is CDTPSVIDGPFVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3/c1-15(2,23)10-4-3-5-11(18-10)20-9(13(21)22)6-8-7-17-14(16)19-12(8)20/h3-7,23H,1-2H3,(H,21,22).
What are the key properties of 2-chloro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
2-chloro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 332.75 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 170327217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).