2-amino-4-[2-(8-chloro-1-oxo-2-phenylpyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one

C24H22ClN7O2 — CID 118445986

IUPAC2-amino-4-[2-(8-chloro-1-oxo-2-phenylpyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one
SMILESNc1nc2c(c(N3CCCC3c3cn4ccc(Cl)c4c(=O)n3-c3ccccc3)n1)C(=O)CCN2
InChIInChI=1S/C24H22ClN7O2/c25-15-9-12-30-13-17(32(23(34)20(15)30)14-5-2-1-3-6-14)16-7-4-11-31(16)22-19-18(33)8-10-27-21(19)28-24(26)29-22/h1-3,5-6,9,12-13,16H,4,7-8,10-11H2,(H3,26,27,28,29)
InChIKeyGIVMBMQVGQWABR-UHFFFAOYSA-N
MW475.94 g/mol
LogP3.46
Rot. Bonds3

About 2-amino-4-[2-(8-chloro-1-oxo-2-phenylpyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one

2-amino-4-[2-(8-chloro-1-oxo-2-phenylpyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one (PubChem CID 118445986) has the molecular formula C24H22ClN7O2 and a molecular weight of 475.94 g/mol. Its IUPAC name is 2-amino-4-[2-(8-chloro-1-oxo-2-phenylpyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-[2-(8-chloro-1-oxo-2-phenylpyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one
PubChem CID118445986
Molecular FormulaC24H22ClN7O2
Molecular Weight475.94 g/mol
Exact Mass475.15
IUPAC Name2-amino-4-[2-(8-chloro-1-oxo-2-phenylpyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one
SMILESNc1nc2c(c(N3CCCC3c3cn4ccc(Cl)c4c(=O)n3-c3ccccc3)n1)C(=O)CCN2
InChIInChI=1S/C24H22ClN7O2/c25-15-9-12-30-13-17(32(23(34)20(15)30)14-5-2-1-3-6-14)16-7-4-11-31(16)22-19-18(33)8-10-27-21(19)28-24(26)29-22/h1-3,5-6,9,12-13,16H,4,7-8,10-11H2,(H3,26,27,28,29)
InChIKeyGIVMBMQVGQWABR-UHFFFAOYSA-N
XLogP3.46
TPSA110.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.94
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-4-[2-(8-chloro-1-oxo-2-phenylpyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(8-chloro-1-oxo-2-phenylpyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-[2-(8-chloro-1-oxo-2-phenylpyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one (CID 118445986) is 2-amino-4-[2-(8-chloro-1-oxo-2-phenylpyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-[2-(8-chloro-1-oxo-2-phenylpyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-[2-(8-chloro-1-oxo-2-phenylpyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one is Nc1nc2c(c(N3CCCC3c3cn4ccc(Cl)c4c(=O)n3-c3ccccc3)n1)C(=O)CCN2.
What is the InChIKey of 2-amino-4-[2-(8-chloro-1-oxo-2-phenylpyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is GIVMBMQVGQWABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN7O2/c25-15-9-12-30-13-17(32(23(34)20(15)30)14-5-2-1-3-6-14)16-7-4-11-31(16)22-19-18(33)8-10-27-21(19)28-24(26)29-22/h1-3,5-6,9,12-13,16H,4,7-8,10-11H2,(H3,26,27,28,29).
What are the key properties of 2-amino-4-[2-(8-chloro-1-oxo-2-phenylpyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one?
2-amino-4-[2-(8-chloro-1-oxo-2-phenylpyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 475.94 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(8-chloro-1-oxo-2-phenylpyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 118445986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).