2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one

C18H19N5O2 — CID 135910433

IUPAC2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=C(c1cc2[nH]c(=O)c3ccccc3n2n1)N1CCN2CCC[C@H]2C1
InChIInChI=1S/C18H19N5O2/c24-17-13-5-1-2-6-15(13)23-16(19-17)10-14(20-23)18(25)22-9-8-21-7-3-4-12(21)11-22/h1-2,5-6,10,12H,3-4,7-9,11H2,(H,19,24)/t12-/m0/s1
InChIKeyOXOBJCCLEXOFAS-LBPRGKRZSA-N
MW337.38 g/mol
LogP1.10
Rot. Bonds1

About 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one

2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135910433) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135910433
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=C(c1cc2[nH]c(=O)c3ccccc3n2n1)N1CCN2CCC[C@H]2C1
InChIInChI=1S/C18H19N5O2/c24-17-13-5-1-2-6-15(13)23-16(19-17)10-14(20-23)18(25)22-9-8-21-7-3-4-12(21)11-22/h1-2,5-6,10,12H,3-4,7-9,11H2,(H,19,24)/t12-/m0/s1
InChIKeyOXOBJCCLEXOFAS-LBPRGKRZSA-N
XLogP1.10
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one with MolForge

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Related Compounds

2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
4-(6-fluoroindolin-1-yl)-N-(4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)piperidine-1-carboxamide
CID 71657549
2-phenylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939584
2-methyl-5-oxo-1H-pyrazolo[1,5-a]quinazoline-3-carbaldehyde
CID 135464724
2-p-tolylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135907000
2-(4-ethylphenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135907001
2-(4-methyl-1,4-diazepane-1-carbonyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135908481
2-(3-(morpholinomethyl)piperidine-1-carbonyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135910401
N-((1-methylpiperidin-4-yl)methyl)-5-oxo-4,5-dihydropyrazolo[1,5-a]quinazoline-2-carboxamide
CID 135910419
N-((1-methylpyrrolidin-3-yl)methyl)-5-oxo-4,5-dihydropyrazolo[1,5-a]quinazoline-2-carboxamide
CID 135910421
2-(4-(cyclopropylmethyl)piperazine-1-carbonyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135910423
2-(1,4-diazepane-1-carbonyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135910442

Frequently Asked Questions

What is the IUPAC name of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135910433) is 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one is O=C(c1cc2[nH]c(=O)c3ccccc3n2n1)N1CCN2CCC[C@H]2C1.
What is the InChIKey of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is OXOBJCCLEXOFAS-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-17-13-5-1-2-6-15(13)23-16(19-17)10-14(20-23)18(25)22-9-8-21-7-3-4-12(21)11-22/h1-2,5-6,10,12H,3-4,7-9,11H2,(H,19,24)/t12-/m0/s1.
What are the key properties of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 337.38 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135910433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).