2-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one

C17H19N5O2 — CID 120605717

IUPAC2-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one
SMILESCn1nccc1[C@@H]1OCC[C@H]1CNc1cc(=O)n2ccccc2n1
InChIInChI=1S/C17H19N5O2/c1-21-13(5-7-19-21)17-12(6-9-24-17)11-18-14-10-16(23)22-8-3-2-4-15(22)20-14/h2-5,7-8,10,12,17-18H,6,9,11H2,1H3/t12-,17+/m0/s1
InChIKeyAYZUDSVDYBYHBI-YVEFUNNKSA-N
MW325.37 g/mol
LogP1.62
Rot. Bonds4

About 2-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one

2-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 120605717) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one
PubChem CID120605717
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one
SMILESCn1nccc1[C@@H]1OCC[C@H]1CNc1cc(=O)n2ccccc2n1
InChIInChI=1S/C17H19N5O2/c1-21-13(5-7-19-21)17-12(6-9-24-17)11-18-14-10-16(23)22-8-3-2-4-15(22)20-14/h2-5,7-8,10,12,17-18H,6,9,11H2,1H3/t12-,17+/m0/s1
InChIKeyAYZUDSVDYBYHBI-YVEFUNNKSA-N
XLogP1.62
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide
CID 121558812
3-ethyl-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one
CID 126797179
3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]butanamide
CID 132303366
(2R,3R)-N-(2-ethyl-2-methoxybutyl)-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 137977335
1-[(2S,3S)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-3-(2-ethyloxan-4-yl)urea
CID 164630362
N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 164634336
(2R,3R)-N-cyclohex-2-en-1-yl-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide
CID 129000246
1,3-dimethyl-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methylamino]-2,6-dioxopyrimidine-5-carbonitrile
CID 129006794
3-fluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]azetidine-1-carboxamide
CID 128131137
1-(2,2-difluoroethyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperidine-4-carboxamide
CID 128354527
1-[(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-3-[(1R,2R)-2-fluorocyclohexyl]urea
CID 132326046
N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]prop-2-enamide
CID 121582196

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one (CID 120605717) is 2-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one is Cn1nccc1[C@@H]1OCC[C@H]1CNc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AYZUDSVDYBYHBI-YVEFUNNKSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-21-13(5-7-19-21)17-12(6-9-24-17)11-18-14-10-16(23)22-8-3-2-4-15(22)20-14/h2-5,7-8,10,12,17-18H,6,9,11H2,1H3/t12-,17+/m0/s1.
What are the key properties of 2-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one?
2-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 325.37 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 120605717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).