2-[6-[[4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol

C17H16ClN7O — CID 164855158

IUPAC2-[6-[[4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(Cn2cc(-c3nc(Cl)nc4[nH]ccc34)nn2)n1
InChIInChI=1S/C17H16ClN7O/c1-17(2,26)13-5-3-4-10(20-13)8-25-9-12(23-24-25)14-11-6-7-19-15(11)22-16(18)21-14/h3-7,9,26H,8H2,1-2H3,(H,19,21,22)
InChIKeyHZDIUGMNMSWEHS-UHFFFAOYSA-N
MW369.82 g/mol
LogP2.54
Rot. Bonds4

About 2-[6-[[4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol

2-[6-[[4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol (PubChem CID 164855158) has the molecular formula C17H16ClN7O and a molecular weight of 369.82 g/mol. Its IUPAC name is 2-[6-[[4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[[4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
PubChem CID164855158
Molecular FormulaC17H16ClN7O
Molecular Weight369.82 g/mol
Exact Mass369.11
IUPAC Name2-[6-[[4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(Cn2cc(-c3nc(Cl)nc4[nH]ccc34)nn2)n1
InChIInChI=1S/C17H16ClN7O/c1-17(2,26)13-5-3-4-10(20-13)8-25-9-12(23-24-25)14-11-6-7-19-15(11)22-16(18)21-14/h3-7,9,26H,8H2,1-2H3,(H,19,21,22)
InChIKeyHZDIUGMNMSWEHS-UHFFFAOYSA-N
XLogP2.54
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.82
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-[[4-(6-amino-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
CID 164855162
2-[6-[[4-(2-amino-6-methylthieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
CID 164855146
3-[4-[1-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]-1H-pyrazolo[5,4-b]pyridin-6-yl]-2-methylbenzonitrile
CID 175484096
3-[4-amino-5-fluoro-6-[1-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]-2-fluorobenzonitrile
CID 168728258
3-[2-amino-6-[1-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile
CID 135242275
2-[6-[[4-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
CID 172812826
2-chloro-4-[3-(methoxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 87468079
2-[6-[[4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]methyl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
CID 155003021
potassium 2-[6-(3H-pyrrol-3-id-1-ylmethyl)-2-pyridinyl]propan-2-ol
CID 154657958
2-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]propan-2-ol
CID 107309599
4-[1-[(6-tert-butyl-2-pyridinyl)methyl]triazol-4-yl]-N-cyclopropyl-6-(3-methylphenyl)pyrimidin-2-amine
CID 165085497
2-[6-[[4-(2-amino-7-bromothieno[3,2-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]-2-methylpropanenitrile
CID 164855097

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[[4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol (CID 164855158) is 2-[6-[[4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[[4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[[4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cccc(Cn2cc(-c3nc(Cl)nc4[nH]ccc34)nn2)n1.
What is the InChIKey of 2-[6-[[4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
The InChIKey is HZDIUGMNMSWEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN7O/c1-17(2,26)13-5-3-4-10(20-13)8-25-9-12(23-24-25)14-11-6-7-19-15(11)22-16(18)21-14/h3-7,9,26H,8H2,1-2H3,(H,19,21,22).
What are the key properties of 2-[6-[[4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
2-[6-[[4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol has a molecular weight of 369.82 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 164855158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).