2-[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]propan-2-ol

C17H19ClN4O — CID 155147006

IUPAC2-[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]propan-2-ol
SMILESCCCc1cc2cnc(Cl)nc2n1-c1cccc(C(C)(C)O)n1
InChIInChI=1S/C17H19ClN4O/c1-4-6-12-9-11-10-19-16(18)21-15(11)22(12)14-8-5-7-13(20-14)17(2,3)23/h5,7-10,23H,4,6H2,1-3H3
InChIKeyJPHBPOQVIVLIHK-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.65
Rot. Bonds4

About 2-[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]propan-2-ol

2-[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]propan-2-ol (PubChem CID 155147006) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]propan-2-ol
PubChem CID155147006
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name2-[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]propan-2-ol
SMILESCCCc1cc2cnc(Cl)nc2n1-c1cccc(C(C)(C)O)n1
InChIInChI=1S/C17H19ClN4O/c1-4-6-12-9-11-10-19-16(18)21-15(11)22(12)14-8-5-7-13(20-14)17(2,3)23/h5,7-10,23H,4,6H2,1-3H3
InChIKeyJPHBPOQVIVLIHK-UHFFFAOYSA-N
XLogP3.65
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]propan-2-ol with MolForge

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Related Compounds

2-chloro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 170327217
[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane
CID 155161161
6-(2-chloro-5-fluoro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-amine
CID 155161057
2-[6-[(5-propyl-1H-imidazol-2-yl)methyl]-2-pyridinyl]propan-2-ol
CID 167025140
2-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-2-ol
CID 170257240
2-chloro-6-(diethoxymethyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidine
CID 175961142
2-chloro-6-cyclopropyl-7-(6-methoxy-2-pyridinyl)pyrrolo[2,3-d]pyrimidine
CID 155146957
2-[6-[(5-iodo-2-propylpyrimidin-4-yl)amino]-2-pyridinyl]propan-2-ol
CID 166957770
2-[6-[(2-propyl-1,3-oxazol-5-yl)methyl]-2-pyridinyl]propan-2-ol
CID 154658132
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
2-[1-[2-(aminomethyl)phenyl]-5-propylpyrazol-3-yl]propan-2-ol
CID 175948495
2-chloro-7-(6-dimethylphosphoryl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine
CID 170327232

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]propan-2-ol (CID 155147006) is 2-[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]propan-2-ol is CCCc1cc2cnc(Cl)nc2n1-c1cccc(C(C)(C)O)n1.
What is the InChIKey of 2-[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]propan-2-ol?
The InChIKey is JPHBPOQVIVLIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-4-6-12-9-11-10-19-16(18)21-15(11)22(12)14-8-5-7-13(20-14)17(2,3)23/h5,7-10,23H,4,6H2,1-3H3.
What are the key properties of 2-[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]propan-2-ol?
2-[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]propan-2-ol has a molecular weight of 330.82 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-chloro-6-propylpyrrolo[2,3-d]pyrimidin-7-yl)-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155147006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).