N-(3,4-difluorophenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C24H23F2N5O2 — CID 46127066

IUPACN-(3,4-difluorophenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCc2nc(-c3ccccc3)nc(N3CCOCC3)c2C1
InChIInChI=1S/C24H23F2N5O2/c25-19-7-6-17(14-20(19)26)27-24(32)31-9-8-21-18(15-31)23(30-10-12-33-13-11-30)29-22(28-21)16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,27,32)
InChIKeySODHHBIIUPTAMX-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.85
Rot. Bonds3

About N-(3,4-difluorophenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-(3,4-difluorophenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 46127066) has the molecular formula C24H23F2N5O2 and a molecular weight of 451.48 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID46127066
Molecular FormulaC24H23F2N5O2
Molecular Weight451.48 g/mol
Exact Mass451.18
IUPAC NameN-(3,4-difluorophenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCc2nc(-c3ccccc3)nc(N3CCOCC3)c2C1
InChIInChI=1S/C24H23F2N5O2/c25-19-7-6-17(14-20(19)26)27-24(32)31-9-8-21-18(15-31)23(30-10-12-33-13-11-30)29-22(28-21)16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,27,32)
InChIKeySODHHBIIUPTAMX-UHFFFAOYSA-N
XLogP3.85
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 46127066) is N-(3,4-difluorophenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is O=C(Nc1ccc(F)c(F)c1)N1CCc2nc(-c3ccccc3)nc(N3CCOCC3)c2C1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is SODHHBIIUPTAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O2/c25-19-7-6-17(14-20(19)26)27-24(32)31-9-8-21-18(15-31)23(30-10-12-33-13-11-30)29-22(28-21)16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,27,32).
What are the key properties of N-(3,4-difluorophenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(3,4-difluorophenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46127066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).