9-[1-(3-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide

C23H26FN5O3 — CID 118709580

IUPAC9-[1-(3-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCC(Nc1cccc(F)c1)c1cc(C(=O)N(C)C)cn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C23H26FN5O3/c1-15(25-18-6-4-5-17(24)12-18)19-11-16(23(31)27(2)3)14-29-21(30)13-20(26-22(19)29)28-7-9-32-10-8-28/h4-6,11-15,25H,7-10H2,1-3H3
InChIKeyAKMHQTCERCYJMU-UHFFFAOYSA-N
MW439.49 g/mol
LogP2.55
Rot. Bonds5

About 9-[1-(3-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide

9-[1-(3-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide (PubChem CID 118709580) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is 9-[1-(3-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name9-[1-(3-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
PubChem CID118709580
Molecular FormulaC23H26FN5O3
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC Name9-[1-(3-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCC(Nc1cccc(F)c1)c1cc(C(=O)N(C)C)cn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C23H26FN5O3/c1-15(25-18-6-4-5-17(24)12-18)19-11-16(23(31)27(2)3)14-29-21(30)13-20(26-22(19)29)28-7-9-32-10-8-28/h4-6,11-15,25H,7-10H2,1-3H3
InChIKeyAKMHQTCERCYJMU-UHFFFAOYSA-N
XLogP2.55
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-[1-(3-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of 9-[1-(3-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide (CID 118709580) is 9-[1-(3-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 9-[1-(3-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for 9-[1-(3-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide is CC(Nc1cccc(F)c1)c1cc(C(=O)N(C)C)cn2c(=O)cc(N3CCOCC3)nc12.
What is the InChIKey of 9-[1-(3-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is AKMHQTCERCYJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3/c1-15(25-18-6-4-5-17(24)12-18)19-11-16(23(31)27(2)3)14-29-21(30)13-20(26-22(19)29)28-7-9-32-10-8-28/h4-6,11-15,25H,7-10H2,1-3H3.
What are the key properties of 9-[1-(3-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
9-[1-(3-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 439.49 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(3-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 118709580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).