2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

C19H30N8O — CID 72915623

IUPAC2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCC1CCN(Cc2nnnn2CC(=O)N2CCc3[nH]nc(C(C)C)c3C2)CC1
InChIInChI=1S/C19H30N8O/c1-13(2)19-15-10-26(9-6-16(15)20-22-19)18(28)12-27-17(21-23-24-27)11-25-7-4-14(3)5-8-25/h13-14H,4-12H2,1-3H3,(H,20,22)
InChIKeyWEMRHHAYMUUZBO-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.34
Rot. Bonds5

About 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (PubChem CID 72915623) has the molecular formula C19H30N8O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
PubChem CID72915623
Molecular FormulaC19H30N8O
Molecular Weight386.50 g/mol
Exact Mass386.25
IUPAC Name2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCC1CCN(Cc2nnnn2CC(=O)N2CCc3[nH]nc(C(C)C)c3C2)CC1
InChIInChI=1S/C19H30N8O/c1-13(2)19-15-10-26(9-6-16(15)20-22-19)18(28)12-27-17(21-23-24-27)11-25-7-4-14(3)5-8-25/h13-14H,4-12H2,1-3H3,(H,20,22)
InChIKeyWEMRHHAYMUUZBO-UHFFFAOYSA-N
XLogP1.34
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(5-Methyl-4H-1,2,4-triazol-3-YL)piperidino]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-YL]-1-ethanone
CID 163339808
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}butanamide
CID 25395881
2-[5-(1-azepanylmethyl)-1H-tetrazol-1-yl]-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylacetamide
CID 42243711
N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide
CID 42287110
3-cyclobutyl-5-[2-methyl-3-(1H-1,2,4-triazol-1-yl)propanoyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 45184179
2-[5-(1-azepanylmethyl)-1H-tetrazol-1-yl]-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
CID 45594790
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
CID 126461715
[3-(3-Methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
CID 31043964
1-(3-Tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-one
CID 45211934
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
CID 45249425
1-[3-(Cyclopentylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-one
CID 45252367
[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
CID 56706914

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (CID 72915623) is 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is CC1CCN(Cc2nnnn2CC(=O)N2CCc3[nH]nc(C(C)C)c3C2)CC1.
What is the InChIKey of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The InChIKey is WEMRHHAYMUUZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N8O/c1-13(2)19-15-10-26(9-6-16(15)20-22-19)18(28)12-27-17(21-23-24-27)11-25-7-4-14(3)5-8-25/h13-14H,4-12H2,1-3H3,(H,20,22).
What are the key properties of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone has a molecular weight of 386.50 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 72915623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).