7-chloro-2-[[4-(2-oxopyrrolidin-1-yl)azepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C19H23ClN4O2 — CID 128712245

IUPAC7-chloro-2-[[4-(2-oxopyrrolidin-1-yl)azepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CCCN1C1CCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C19H23ClN4O2/c20-14-5-6-17-21-15(11-19(26)24(17)12-14)13-22-8-1-3-16(7-10-22)23-9-2-4-18(23)25/h5-6,11-12,16H,1-4,7-10,13H2
InChIKeyXTUQFXHNUNTYIL-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.32
Rot. Bonds3

About 7-chloro-2-[[4-(2-oxopyrrolidin-1-yl)azepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[4-(2-oxopyrrolidin-1-yl)azepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 128712245) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 7-chloro-2-[[4-(2-oxopyrrolidin-1-yl)azepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[4-(2-oxopyrrolidin-1-yl)azepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID128712245
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name7-chloro-2-[[4-(2-oxopyrrolidin-1-yl)azepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CCCN1C1CCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C19H23ClN4O2/c20-14-5-6-17-21-15(11-19(26)24(17)12-14)13-22-8-1-3-16(7-10-22)23-9-2-4-18(23)25/h5-6,11-12,16H,1-4,7-10,13H2
InChIKeyXTUQFXHNUNTYIL-UHFFFAOYSA-N
XLogP2.32
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-chloro-2-[[4-(2-oxopyrrolidin-1-yl)azepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119907105
7-chloro-2-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 146082591
7-chloro-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672390
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 62063255
7-chloro-2-[(3,4-dihydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106672517
7-chloro-2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 118766913
7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55627437
7-chloro-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 96582179
tert-butyl N-[1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-4-yl]carbamate
CID 60512447
7-chloro-2-(2,3-dihydroindol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 18087338
2-[[2-(aminomethyl)piperidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119915940
7-chloro-2-[[(6S)-2,2,6-trimethylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95586169

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[4-(2-oxopyrrolidin-1-yl)azepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[4-(2-oxopyrrolidin-1-yl)azepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 128712245) is 7-chloro-2-[[4-(2-oxopyrrolidin-1-yl)azepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[4-(2-oxopyrrolidin-1-yl)azepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[4-(2-oxopyrrolidin-1-yl)azepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=C1CCCN1C1CCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 7-chloro-2-[[4-(2-oxopyrrolidin-1-yl)azepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XTUQFXHNUNTYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c20-14-5-6-17-21-15(11-19(26)24(17)12-14)13-22-8-1-3-16(7-10-22)23-9-2-4-18(23)25/h5-6,11-12,16H,1-4,7-10,13H2.
What are the key properties of 7-chloro-2-[[4-(2-oxopyrrolidin-1-yl)azepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[4-(2-oxopyrrolidin-1-yl)azepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 374.87 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[4-(2-oxopyrrolidin-1-yl)azepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 128712245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).