2-(2-cyclopropylethyl)-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one

C23H26N4O — CID 24995932

IUPAC2-(2-cyclopropylethyl)-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2ccc(N[C@@H]3CCNC3)cc2)c(CCC2CC2)nc2ccccn12
InChIInChI=1S/C23H26N4O/c28-23-22(17-7-9-18(10-8-17)25-19-12-13-24-15-19)20(11-6-16-4-5-16)26-21-3-1-2-14-27(21)23/h1-3,7-10,14,16,19,24-25H,4-6,11-13,15H2/t19-/m1/s1
InChIKeyBDNGJSYVQWBMMY-LJQANCHMSA-N
MW374.49 g/mol
LogP3.48
Rot. Bonds6

About 2-(2-cyclopropylethyl)-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one

2-(2-cyclopropylethyl)-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 24995932) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(2-cyclopropylethyl)-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-cyclopropylethyl)-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID24995932
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-(2-cyclopropylethyl)-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2ccc(N[C@@H]3CCNC3)cc2)c(CCC2CC2)nc2ccccn12
InChIInChI=1S/C23H26N4O/c28-23-22(17-7-9-18(10-8-17)25-19-12-13-24-15-19)20(11-6-16-4-5-16)26-21-3-1-2-14-27(21)23/h1-3,7-10,14,16,19,24-25H,4-6,11-13,15H2/t19-/m1/s1
InChIKeyBDNGJSYVQWBMMY-LJQANCHMSA-N
XLogP3.48
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethyl)-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2-cyclopropylethyl)-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one (CID 24995932) is 2-(2-cyclopropylethyl)-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2-cyclopropylethyl)-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2-cyclopropylethyl)-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one is O=c1c(-c2ccc(N[C@@H]3CCNC3)cc2)c(CCC2CC2)nc2ccccn12.
What is the InChIKey of 2-(2-cyclopropylethyl)-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BDNGJSYVQWBMMY-LJQANCHMSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23-22(17-7-9-18(10-8-17)25-19-12-13-24-15-19)20(11-6-16-4-5-16)26-21-3-1-2-14-27(21)23/h1-3,7-10,14,16,19,24-25H,4-6,11-13,15H2/t19-/m1/s1.
What are the key properties of 2-(2-cyclopropylethyl)-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one?
2-(2-cyclopropylethyl)-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 374.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethyl)-3-[4-[[(3R)-pyrrolidin-3-yl]amino]phenyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 24995932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).