methyl 5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate

C13H15N5O2 — CID 72900223

IUPACmethyl 5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1n[nH]c2c1CN(c1nccc(C)n1)CC2
InChIInChI=1S/C13H15N5O2/c1-8-3-5-14-13(15-8)18-6-4-10-9(7-18)11(17-16-10)12(19)20-2/h3,5H,4,6-7H2,1-2H3,(H,16,17)
InChIKeyVQJJCKYMIFPKAE-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.86
Rot. Bonds2

About methyl 5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate

methyl 5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 72900223) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is methyl 5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID72900223
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Namemethyl 5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1n[nH]c2c1CN(c1nccc(C)n1)CC2
InChIInChI=1S/C13H15N5O2/c1-8-3-5-14-13(15-8)18-6-4-10-9(7-18)11(17-16-10)12(19)20-2/h3,5H,4,6-7H2,1-2H3,(H,16,17)
InChIKeyVQJJCKYMIFPKAE-UHFFFAOYSA-N
XLogP0.86
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate 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

methyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 66828915
methyl 1H-pyrazolo[3,4-b]pyridine-3-carboxylate
CID 52911269
methyl 5-[6-(trans-3-aminocyclobutyl)-2-(methoxymethyl)-4-pyrimidinyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate dihydrochloride
CID 91774340
methyl 5-(6-ethylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 72873615
ethyl 3-[2-(3-fluorophenyl)pyrimidin-5-yl]-1H-pyrazole-5-carboxylate
CID 68412318
Ethyl 5-(7-fluorosulfanylpyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 155155145
ethyl 4-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)-5-methyl-1H-pyrazole-3-carboxylate
CID 168824107
methyl 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 169016591
ethyl 4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)-5-methyl-1H-pyrazole-3-carboxylate
CID 169931962
(5R,7S)-5,7-dimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111315
(5R,7S)-N,5,7-trimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111479
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]methanone
CID 146115415

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (CID 72900223) is methyl 5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is COC(=O)c1n[nH]c2c1CN(c1nccc(C)n1)CC2.
What is the InChIKey of methyl 5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is VQJJCKYMIFPKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8-3-5-14-13(15-8)18-6-4-10-9(7-18)11(17-16-10)12(19)20-2/h3,5H,4,6-7H2,1-2H3,(H,16,17).
What are the key properties of methyl 5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
methyl 5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 273.30 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 72900223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).