2-[(2-methoxy-3-pyridinyl)amino]-9-piperidin-4-yl-7H-purin-8-one

C16H19N7O2 — CID 141352684

IUPAC2-[(2-methoxy-3-pyridinyl)amino]-9-piperidin-4-yl-7H-purin-8-one
SMILESCOc1ncccc1Nc1ncc2[nH]c(=O)n(C3CCNCC3)c2n1
InChIInChI=1S/C16H19N7O2/c1-25-14-11(3-2-6-18-14)20-15-19-9-12-13(22-15)23(16(24)21-12)10-4-7-17-8-5-10/h2-3,6,9-10,17H,4-5,7-8H2,1H3,(H,21,24)(H,19,20,22)
InChIKeyJQNIQEORXRWHMY-UHFFFAOYSA-N
MW341.38 g/mol
LogP1.19
Rot. Bonds4

About 2-[(2-methoxy-3-pyridinyl)amino]-9-piperidin-4-yl-7H-purin-8-one

2-[(2-methoxy-3-pyridinyl)amino]-9-piperidin-4-yl-7H-purin-8-one (PubChem CID 141352684) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 2-[(2-methoxy-3-pyridinyl)amino]-9-piperidin-4-yl-7H-purin-8-one.

Molecular Properties

Compound Name2-[(2-methoxy-3-pyridinyl)amino]-9-piperidin-4-yl-7H-purin-8-one
PubChem CID141352684
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name2-[(2-methoxy-3-pyridinyl)amino]-9-piperidin-4-yl-7H-purin-8-one
SMILESCOc1ncccc1Nc1ncc2[nH]c(=O)n(C3CCNCC3)c2n1
InChIInChI=1S/C16H19N7O2/c1-25-14-11(3-2-6-18-14)20-15-19-9-12-13(22-15)23(16(24)21-12)10-4-7-17-8-5-10/h2-3,6,9-10,17H,4-5,7-8H2,1H3,(H,21,24)(H,19,20,22)
InChIKeyJQNIQEORXRWHMY-UHFFFAOYSA-N
XLogP1.19
TPSA109.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-[(2-methoxy-3-pyridinyl)amino]-8-oxo-7H-purin-9-yl]cyclohexane-1-carbonitrile
CID 90218239
9-[(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]-2-[(2-methoxy-3-pyridinyl)amino]-7H-purin-8-one
CID 90218331
2-[[5-(difluoromethyl)-2-methoxy-3-pyridinyl]amino]-9-(oxan-4-yl)-7H-purin-8-one
CID 71062086
2-[(2-methoxy-3-pyridinyl)amino]-6-morpholin-4-yl-9-(oxan-4-yl)-7H-purin-8-one
CID 71062050
7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one
CID 146275593
tert-butyl 4-[2-(4-fluoroanilino)-8-oxo-7H-purin-9-yl]piperidine-1-carboxylate
CID 90358944
9-[(1R,3S)-3-hydroxycyclohexyl]-2-[(2-oxo-1H-pyridin-3-yl)amino]-7H-purin-8-one
CID 71061374
3-piperidin-4-yl-1H-pyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 126850235
7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-[(3S)-pyrrolidin-3-yl]purin-8-one
CID 146273873
2-[(2-methoxy-3-pyridinyl)amino]-9-[(1S,2R)-2-methylcyclohexyl]-7-(2-trimethylsilylethoxymethyl)purin-8-one
CID 90218569
2-N-(2-methoxy-3-pyridinyl)-4-N-[4-(methylsulfonylmethyl)cyclohexyl]pyrimidine-2,4,5-triamine
CID 71062992
3-[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
CID 71246113

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-3-pyridinyl)amino]-9-piperidin-4-yl-7H-purin-8-one?
The IUPAC name of 2-[(2-methoxy-3-pyridinyl)amino]-9-piperidin-4-yl-7H-purin-8-one (CID 141352684) is 2-[(2-methoxy-3-pyridinyl)amino]-9-piperidin-4-yl-7H-purin-8-one.
What is the SMILES notation for 2-[(2-methoxy-3-pyridinyl)amino]-9-piperidin-4-yl-7H-purin-8-one?
The canonical SMILES for 2-[(2-methoxy-3-pyridinyl)amino]-9-piperidin-4-yl-7H-purin-8-one is COc1ncccc1Nc1ncc2[nH]c(=O)n(C3CCNCC3)c2n1.
What is the InChIKey of 2-[(2-methoxy-3-pyridinyl)amino]-9-piperidin-4-yl-7H-purin-8-one?
The InChIKey is JQNIQEORXRWHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-25-14-11(3-2-6-18-14)20-15-19-9-12-13(22-15)23(16(24)21-12)10-4-7-17-8-5-10/h2-3,6,9-10,17H,4-5,7-8H2,1H3,(H,21,24)(H,19,20,22).
What are the key properties of 2-[(2-methoxy-3-pyridinyl)amino]-9-piperidin-4-yl-7H-purin-8-one?
2-[(2-methoxy-3-pyridinyl)amino]-9-piperidin-4-yl-7H-purin-8-one has a molecular weight of 341.38 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-3-pyridinyl)amino]-9-piperidin-4-yl-7H-purin-8-one is sourced from PubChem (CID 141352684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).