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

C26H27F2N5O2 — CID 42786956

IUPACN-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCC1CN(c2nc(-c3ccccc3)nc3c2CN(C(=O)Nc2ccc(F)cc2F)CC3)CC(C)O1
InChIInChI=1S/C26H27F2N5O2/c1-16-13-33(14-17(2)35-16)25-20-15-32(26(34)30-23-9-8-19(27)12-21(23)28)11-10-22(20)29-24(31-25)18-6-4-3-5-7-18/h3-9,12,16-17H,10-11,13-15H2,1-2H3,(H,30,34)
InChIKeyWYBKAHHOFVIEQP-UHFFFAOYSA-N
MW479.53 g/mol
LogP4.63
Rot. Bonds3

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

N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 42786956) has the molecular formula C26H27F2N5O2 and a molecular weight of 479.53 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID42786956
Molecular FormulaC26H27F2N5O2
Molecular Weight479.53 g/mol
Exact Mass479.21
IUPAC NameN-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCC1CN(c2nc(-c3ccccc3)nc3c2CN(C(=O)Nc2ccc(F)cc2F)CC3)CC(C)O1
InChIInChI=1S/C26H27F2N5O2/c1-16-13-33(14-17(2)35-16)25-20-15-32(26(34)30-23-9-8-19(27)12-21(23)28)11-10-22(20)29-24(31-25)18-6-4-3-5-7-18/h3-9,12,16-17H,10-11,13-15H2,1-2H3,(H,30,34)
InChIKeyWYBKAHHOFVIEQP-UHFFFAOYSA-N
XLogP4.63
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 42786956) is N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CC1CN(c2nc(-c3ccccc3)nc3c2CN(C(=O)Nc2ccc(F)cc2F)CC3)CC(C)O1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is WYBKAHHOFVIEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N5O2/c1-16-13-33(14-17(2)35-16)25-20-15-32(26(34)30-23-9-8-19(27)12-21(23)28)11-10-22(20)29-24(31-25)18-6-4-3-5-7-18/h3-9,12,16-17H,10-11,13-15H2,1-2H3,(H,30,34).
What are the key properties of N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 479.53 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42786956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).