4-hydroxy-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide

C18H21N7O2 — CID 170506933

IUPAC4-hydroxy-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1cccnc1)C1(O)CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C18H21N7O2/c26-17(20-7-3-13-2-1-6-19-10-13)18(27)4-8-25(9-5-18)16-14-11-23-24-15(14)21-12-22-16/h1-2,6,10-12,27H,3-5,7-9H2,(H,20,26)(H,21,22,23,24)
InChIKeyNJMUOIFBVXKSEG-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.44
Rot. Bonds5

About 4-hydroxy-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide

4-hydroxy-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide (PubChem CID 170506933) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-hydroxy-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
PubChem CID170506933
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name4-hydroxy-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1cccnc1)C1(O)CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C18H21N7O2/c26-17(20-7-3-13-2-1-6-19-10-13)18(27)4-8-25(9-5-18)16-14-11-23-24-15(14)21-12-22-16/h1-2,6,10-12,27H,3-5,7-9H2,(H,20,26)(H,21,22,23,24)
InChIKeyNJMUOIFBVXKSEG-UHFFFAOYSA-N
XLogP0.44
TPSA119.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-[[4-fluoro-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
CID 165433052
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655
1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 78995084
3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946421
3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 115161689
2-amino-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62072665
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123804
ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 42226847
N-(2-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 110872249
3-cyano-N-(2-pyridin-3-ylethyl)oxetane-3-carboxamide
CID 115184826
4-[(4-chlorophenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine
CID 45142258
2-methyl-N-(2-pyridin-3-ylethyl)spiro[indole-3,4'-piperidine]-1'-carboxamide
CID 136568238

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 4-hydroxy-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide (CID 170506933) is 4-hydroxy-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-hydroxy-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide is O=C(NCCc1cccnc1)C1(O)CCN(c2ncnc3[nH]ncc23)CC1.
What is the InChIKey of 4-hydroxy-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide?
The InChIKey is NJMUOIFBVXKSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c26-17(20-7-3-13-2-1-6-19-10-13)18(27)4-8-25(9-5-18)16-14-11-23-24-15(14)21-12-22-16/h1-2,6,10-12,27H,3-5,7-9H2,(H,20,26)(H,21,22,23,24).
What are the key properties of 4-hydroxy-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide?
4-hydroxy-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 170506933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).