7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine

C11H8ClN5 — CID 165130545

IUPAC7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine
SMILESCn1ncc2nc(-c3ccccn3)nc(Cl)c21
InChIInChI=1S/C11H8ClN5/c1-17-9-8(6-14-17)15-11(16-10(9)12)7-4-2-3-5-13-7/h2-6H,1H3
InChIKeyKTUUFQLNVPWEJH-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.08
Rot. Bonds1

About 7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine

7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine (PubChem CID 165130545) has the molecular formula C11H8ClN5 and a molecular weight of 245.67 g/mol. Its IUPAC name is 7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine
PubChem CID165130545
Molecular FormulaC11H8ClN5
Molecular Weight245.67 g/mol
Exact Mass245.05
IUPAC Name7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine
SMILESCn1ncc2nc(-c3ccccn3)nc(Cl)c21
InChIInChI=1S/C11H8ClN5/c1-17-9-8(6-14-17)15-11(16-10(9)12)7-4-2-3-5-13-7/h2-6H,1H3
InChIKeyKTUUFQLNVPWEJH-UHFFFAOYSA-N
XLogP2.08
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-pyridin-2-ylquinazoline
CID 930716
4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine
CID 63613489
CID 139150015
CID 139150015
6-chloro-5-methyl-2-pyridin-2-ylpyrimidin-4-amine;ethane
CID 142506928
4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine
CID 79432804
5-chloro-6-phenyl-3-pyridin-2-yl-1,2,4-triazine
CID 14642993
4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine
CID 79431898
4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine
CID 112569415
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539
2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine
CID 58261693
1-chloro-8-methyl-3-pyridin-2-ylimidazo[1,5-a]pyridine
CID 117252375
4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 28811995

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine?
The IUPAC name of 7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine (CID 165130545) is 7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine is Cn1ncc2nc(-c3ccccn3)nc(Cl)c21.
What is the InChIKey of 7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine?
The InChIKey is KTUUFQLNVPWEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5/c1-17-9-8(6-14-17)15-11(16-10(9)12)7-4-2-3-5-13-7/h2-6H,1H3.
What are the key properties of 7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine?
7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine has a molecular weight of 245.67 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 165130545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).