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

C23H25F2N5O3 — CID 118709581

IUPAC9-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCC(Nc1cccc(F)c1F)c1cc(C(=O)N(C)C)cn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C23H25F2N5O3/c1-14(26-18-6-4-5-17(24)21(18)25)16-11-15(23(32)28(2)3)13-30-20(31)12-19(27-22(16)30)29-7-9-33-10-8-29/h4-6,11-14,26H,7-10H2,1-3H3
InChIKeyHCJKMKYHJIFLSL-UHFFFAOYSA-N
MW457.48 g/mol
LogP2.68
Rot. Bonds5

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

9-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide (PubChem CID 118709581) has the molecular formula C23H25F2N5O3 and a molecular weight of 457.48 g/mol. Its IUPAC name is 9-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name9-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
PubChem CID118709581
Molecular FormulaC23H25F2N5O3
Molecular Weight457.48 g/mol
Exact Mass457.19
IUPAC Name9-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCC(Nc1cccc(F)c1F)c1cc(C(=O)N(C)C)cn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C23H25F2N5O3/c1-14(26-18-6-4-5-17(24)21(18)25)16-11-15(23(32)28(2)3)13-30-20(31)12-19(27-22(16)30)29-7-9-33-10-8-29/h4-6,11-14,26H,7-10H2,1-3H3
InChIKeyHCJKMKYHJIFLSL-UHFFFAOYSA-N
XLogP2.68
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of 9-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide (CID 118709581) is 9-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 9-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for 9-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide is CC(Nc1cccc(F)c1F)c1cc(C(=O)N(C)C)cn2c(=O)cc(N3CCOCC3)nc12.
What is the InChIKey of 9-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is HCJKMKYHJIFLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O3/c1-14(26-18-6-4-5-17(24)21(18)25)16-11-15(23(32)28(2)3)13-30-20(31)12-19(27-22(16)30)29-7-9-33-10-8-29/h4-6,11-14,26H,7-10H2,1-3H3.
What are the key properties of 9-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
9-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 457.48 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 118709581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).