2-[1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidin-2-yl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one

C23H22N6O3 — CID 110214889

IUPAC2-[1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidin-2-yl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCCC1c1cc2nc3c(c(=O)n2[nH]1)CCCC3
InChIInChI=1S/C23H22N6O3/c30-21(15-13-24-19-9-3-4-10-28(19)22(15)31)27-11-5-8-18(27)17-12-20-25-16-7-2-1-6-14(16)23(32)29(20)26-17/h3-4,9-10,12-13,18,26H,1-2,5-8,11H2
InChIKeyJGUZGKYYSUMYHU-UHFFFAOYSA-N
MW430.47 g/mol
LogP1.89
Rot. Bonds2

About 2-[1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidin-2-yl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one

2-[1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidin-2-yl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one (PubChem CID 110214889) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 2-[1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidin-2-yl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one.

Molecular Properties

Compound Name2-[1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidin-2-yl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
PubChem CID110214889
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name2-[1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidin-2-yl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCCC1c1cc2nc3c(c(=O)n2[nH]1)CCCC3
InChIInChI=1S/C23H22N6O3/c30-21(15-13-24-19-9-3-4-10-28(19)22(15)31)27-11-5-8-18(27)17-12-20-25-16-7-2-1-6-14(16)23(32)29(20)26-17/h3-4,9-10,12-13,18,26H,1-2,5-8,11H2
InChIKeyJGUZGKYYSUMYHU-UHFFFAOYSA-N
XLogP1.89
TPSA104.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidin-2-yl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The IUPAC name of 2-[1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidin-2-yl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one (CID 110214889) is 2-[1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidin-2-yl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one.
What is the SMILES notation for 2-[1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidin-2-yl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The canonical SMILES for 2-[1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidin-2-yl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one is O=C(c1cnc2ccccn2c1=O)N1CCCC1c1cc2nc3c(c(=O)n2[nH]1)CCCC3.
What is the InChIKey of 2-[1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidin-2-yl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The InChIKey is JGUZGKYYSUMYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c30-21(15-13-24-19-9-3-4-10-28(19)22(15)31)27-11-5-8-18(27)17-12-20-25-16-7-2-1-6-14(16)23(32)29(20)26-17/h3-4,9-10,12-13,18,26H,1-2,5-8,11H2.
What are the key properties of 2-[1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidin-2-yl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
2-[1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidin-2-yl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one has a molecular weight of 430.47 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidin-2-yl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one is sourced from PubChem (CID 110214889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).