9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxo-N-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidine-7-carboxamide

C27H35N7O3 — CID 118709082

IUPAC9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxo-N-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCC(Nc1ccccc1)c1cc(C(=O)NCCN2CCNCC2)cn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C27H35N7O3/c1-20(30-22-5-3-2-4-6-22)23-17-21(27(36)29-9-12-32-10-7-28-8-11-32)19-34-25(35)18-24(31-26(23)34)33-13-15-37-16-14-33/h2-6,17-20,28,30H,7-16H2,1H3,(H,29,36)
InChIKeyUUSXDFYMDWJPLX-UHFFFAOYSA-N
MW505.62 g/mol
LogP1.34
Rot. Bonds8

About 9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxo-N-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidine-7-carboxamide

9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxo-N-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidine-7-carboxamide (PubChem CID 118709082) has the molecular formula C27H35N7O3 and a molecular weight of 505.62 g/mol. Its IUPAC name is 9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxo-N-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxo-N-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidine-7-carboxamide
PubChem CID118709082
Molecular FormulaC27H35N7O3
Molecular Weight505.62 g/mol
Exact Mass505.28
IUPAC Name9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxo-N-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCC(Nc1ccccc1)c1cc(C(=O)NCCN2CCNCC2)cn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C27H35N7O3/c1-20(30-22-5-3-2-4-6-22)23-17-21(27(36)29-9-12-32-10-7-28-8-11-32)19-34-25(35)18-24(31-26(23)34)33-13-15-37-16-14-33/h2-6,17-20,28,30H,7-16H2,1H3,(H,29,36)
InChIKeyUUSXDFYMDWJPLX-UHFFFAOYSA-N
XLogP1.34
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.62
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxo-N-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of 9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxo-N-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidine-7-carboxamide (CID 118709082) is 9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxo-N-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxo-N-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for 9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxo-N-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidine-7-carboxamide is CC(Nc1ccccc1)c1cc(C(=O)NCCN2CCNCC2)cn2c(=O)cc(N3CCOCC3)nc12.
What is the InChIKey of 9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxo-N-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is UUSXDFYMDWJPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O3/c1-20(30-22-5-3-2-4-6-22)23-17-21(27(36)29-9-12-32-10-7-28-8-11-32)19-34-25(35)18-24(31-26(23)34)33-13-15-37-16-14-33/h2-6,17-20,28,30H,7-16H2,1H3,(H,29,36).
What are the key properties of 9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxo-N-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidine-7-carboxamide?
9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxo-N-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 505.62 g/mol, XLogP of 1.34, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-anilinoethyl)-2-morpholin-4-yl-4-oxo-N-(2-piperazin-1-ylethyl)pyrido[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 118709082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).