4-(2,4-difluorophenoxy)-N-(3-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C27H29F2N5O3 — CID 42871033

IUPAC4-(2,4-difluorophenoxy)-N-(3-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(NC(=O)N2CCc3nc(N4CCC(C)CC4)nc(Oc4ccc(F)cc4F)c3C2)c1
InChIInChI=1S/C27H29F2N5O3/c1-17-8-11-33(12-9-17)26-31-23-10-13-34(27(35)30-19-4-3-5-20(15-19)36-2)16-21(23)25(32-26)37-24-7-6-18(28)14-22(24)29/h3-7,14-15,17H,8-13,16H2,1-2H3,(H,30,35)
InChIKeyIVZIQHYESWMESM-UHFFFAOYSA-N
MW509.56 g/mol
LogP5.38
Rot. Bonds5

About 4-(2,4-difluorophenoxy)-N-(3-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

4-(2,4-difluorophenoxy)-N-(3-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 42871033) has the molecular formula C27H29F2N5O3 and a molecular weight of 509.56 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-N-(3-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-N-(3-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID42871033
Molecular FormulaC27H29F2N5O3
Molecular Weight509.56 g/mol
Exact Mass509.22
IUPAC Name4-(2,4-difluorophenoxy)-N-(3-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(NC(=O)N2CCc3nc(N4CCC(C)CC4)nc(Oc4ccc(F)cc4F)c3C2)c1
InChIInChI=1S/C27H29F2N5O3/c1-17-8-11-33(12-9-17)26-31-23-10-13-34(27(35)30-19-4-3-5-20(15-19)36-2)16-21(23)25(32-26)37-24-7-6-18(28)14-22(24)29/h3-7,14-15,17H,8-13,16H2,1-2H3,(H,30,35)
InChIKeyIVZIQHYESWMESM-UHFFFAOYSA-N
XLogP5.38
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.56
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-difluorophenoxy)-N-(3-methoxyphenyl)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42871016
4-(3-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42871067
(2S)-1-[4-(2,4-difluorophenoxy)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one
CID 93001990
[4-(3-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone
CID 46073555
N-(3-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42787876
1-[4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methoxyphenyl)ethanone
CID 46073635
[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methoxyphenyl)methanone
CID 46050294
[4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 46073236
N-(3-chlorophenyl)-4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46160236
[4-(3-fluorophenoxy)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methoxyphenyl)methanone
CID 42871270
4-(4-fluoro-3-methylphenoxy)-N-phenyl-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46072991
cyclopropyl-[4-(3-methoxyphenoxy)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42871076

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-N-(3-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(2,4-difluorophenoxy)-N-(3-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 42871033) is 4-(2,4-difluorophenoxy)-N-(3-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-N-(3-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(2,4-difluorophenoxy)-N-(3-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is COc1cccc(NC(=O)N2CCc3nc(N4CCC(C)CC4)nc(Oc4ccc(F)cc4F)c3C2)c1.
What is the InChIKey of 4-(2,4-difluorophenoxy)-N-(3-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is IVZIQHYESWMESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N5O3/c1-17-8-11-33(12-9-17)26-31-23-10-13-34(27(35)30-19-4-3-5-20(15-19)36-2)16-21(23)25(32-26)37-24-7-6-18(28)14-22(24)29/h3-7,14-15,17H,8-13,16H2,1-2H3,(H,30,35).
What are the key properties of 4-(2,4-difluorophenoxy)-N-(3-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
4-(2,4-difluorophenoxy)-N-(3-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 509.56 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-N-(3-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42871033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).