2-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C19H23N5O2 — CID 135100376

IUPAC2-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C[C@@H]2CN(Cc3cc(=O)n4cccc(C)c4n3)C[C@H]2O)n[nH]1
InChIInChI=1S/C19H23N5O2/c1-12-4-3-5-24-18(26)8-16(20-19(12)24)10-23-9-14(17(25)11-23)7-15-6-13(2)21-22-15/h3-6,8,14,17,25H,7,9-11H2,1-2H3,(H,21,22)/t14-,17-/m1/s1
InChIKeyFLUWKCAQBGUJGO-RHSMWYFYSA-N
MW353.43 g/mol
LogP1.07
Rot. Bonds4

About 2-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 135100376) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID135100376
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C[C@@H]2CN(Cc3cc(=O)n4cccc(C)c4n3)C[C@H]2O)n[nH]1
InChIInChI=1S/C19H23N5O2/c1-12-4-3-5-24-18(26)8-16(20-19(12)24)10-23-9-14(17(25)11-23)7-15-6-13(2)21-22-15/h3-6,8,14,17,25H,7,9-11H2,1-2H3,(H,21,22)/t14-,17-/m1/s1
InChIKeyFLUWKCAQBGUJGO-RHSMWYFYSA-N
XLogP1.07
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 135100376) is 2-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(C[C@@H]2CN(Cc3cc(=O)n4cccc(C)c4n3)C[C@H]2O)n[nH]1.
What is the InChIKey of 2-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FLUWKCAQBGUJGO-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12-4-3-5-24-18(26)8-16(20-19(12)24)10-23-9-14(17(25)11-23)7-15-6-13(2)21-22-15/h3-6,8,14,17,25H,7,9-11H2,1-2H3,(H,21,22)/t14-,17-/m1/s1.
What are the key properties of 2-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 353.43 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135100376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).