2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine

C11H13N5 — CID 172720249

IUPAC2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCn1nc2c(c1-c1ncccn1)CCNC2
InChIInChI=1S/C11H13N5/c1-16-10(11-13-4-2-5-14-11)8-3-6-12-7-9(8)15-16/h2,4-5,12H,3,6-7H2,1H3
InChIKeyGKIAPOIBRBABIZ-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.52
Rot. Bonds1

About 2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine

2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (PubChem CID 172720249) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
PubChem CID172720249
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCn1nc2c(c1-c1ncccn1)CCNC2
InChIInChI=1S/C11H13N5/c1-16-10(11-13-4-2-5-14-11)8-3-6-12-7-9(8)15-16/h2,4-5,12H,3,6-7H2,1H3
InChIKeyGKIAPOIBRBABIZ-UHFFFAOYSA-N
XLogP0.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile
CID 105431907
4-(2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3-yl)morpholine
CID 83863104
N-ethyl-2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3-amine
CID 84657576
3-(2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82289154
2-(3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)-1,3-oxazole
CID 96618589
4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride
CID 71298613
3-methoxy-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 83845943
2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 98009854
3-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483907
1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 75465061
4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738589
2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;dihydrochloride
CID 133054039

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The IUPAC name of 2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (CID 172720249) is 2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.
What is the SMILES notation for 2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The canonical SMILES for 2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is Cn1nc2c(c1-c1ncccn1)CCNC2.
What is the InChIKey of 2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The InChIKey is GKIAPOIBRBABIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-16-10(11-13-4-2-5-14-11)8-3-6-12-7-9(8)15-16/h2,4-5,12H,3,6-7H2,1H3.
What are the key properties of 2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine has a molecular weight of 215.26 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is sourced from PubChem (CID 172720249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).