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

C14H17N5O2 — CID 72873615

IUPACmethyl 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCc1cc(N2CCc3[nH]nc(C(=O)OC)c3C2)ncn1
InChIInChI=1S/C14H17N5O2/c1-3-9-6-12(16-8-15-9)19-5-4-11-10(7-19)13(18-17-11)14(20)21-2/h6,8H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyOASUYPWUOUITHS-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.11
Rot. Bonds3

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

methyl 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 72873615) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID72873615
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Namemethyl 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCc1cc(N2CCc3[nH]nc(C(=O)OC)c3C2)ncn1
InChIInChI=1S/C14H17N5O2/c1-3-9-6-12(16-8-15-9)19-5-4-11-10(7-19)13(18-17-11)14(20)21-2/h6,8H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyOASUYPWUOUITHS-UHFFFAOYSA-N
XLogP1.11
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

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-(4-methylpyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 72900223
Ethyl 5-(7-fluorosulfanylpyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 155155145
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
5-[5-fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 154564026
5-[6-(Trifluoromethyl)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 154566577
5-[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 154779726
methyl 5-[(6R,8S)-2,8-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 166296235
Methyl 6-(4-methyl-1-piperazinyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylate
CID 19089876
methyl 3-(2-phenylpyrimidin-5-yl)-1H-pyrazole-5-carboxylate
CID 68410930
Ethyl 1-pyrimidin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 82587169

Frequently Asked Questions

What is the IUPAC name of methyl 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (CID 72873615) is methyl 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is CCc1cc(N2CCc3[nH]nc(C(=O)OC)c3C2)ncn1.
What is the InChIKey of methyl 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is OASUYPWUOUITHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-3-9-6-12(16-8-15-9)19-5-4-11-10(7-19)13(18-17-11)14(20)21-2/h6,8H,3-5,7H2,1-2H3,(H,17,18).
What are the key properties of methyl 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
methyl 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 72873615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).