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

C20H23F2N5O2 — CID 46072958

IUPAC4-(3,4-difluorophenoxy)-N-ethyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C20H23F2N5O2/c1-2-23-20(28)27-10-7-17-14(12-27)18(25-19(24-17)26-8-3-4-9-26)29-13-5-6-15(21)16(22)11-13/h5-6,11H,2-4,7-10,12H2,1H3,(H,23,28)
InChIKeyLYIBIABZTUCVHI-UHFFFAOYSA-N
MW403.43 g/mol
LogP3.23
Rot. Bonds4

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

4-(3,4-difluorophenoxy)-N-ethyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 46072958) has the molecular formula C20H23F2N5O2 and a molecular weight of 403.43 g/mol. Its IUPAC name is 4-(3,4-difluorophenoxy)-N-ethyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(3,4-difluorophenoxy)-N-ethyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID46072958
Molecular FormulaC20H23F2N5O2
Molecular Weight403.43 g/mol
Exact Mass403.18
IUPAC Name4-(3,4-difluorophenoxy)-N-ethyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C20H23F2N5O2/c1-2-23-20(28)27-10-7-17-14(12-27)18(25-19(24-17)26-8-3-4-9-26)29-13-5-6-15(21)16(22)11-13/h5-6,11H,2-4,7-10,12H2,1H3,(H,23,28)
InChIKeyLYIBIABZTUCVHI-UHFFFAOYSA-N
XLogP3.23
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3,4-difluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methoxyphenyl)ethanone
CID 46073848
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-(3,4-difluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylphenyl)methanone
CID 46073849
[4-(3,4-difluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-fluorophenyl)methanone
CID 46073442
4-(4-fluoro-3-methylphenoxy)-N-phenyl-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46072991
4-(3,4-difluorophenoxy)-2-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46072973
(4-chlorophenyl)-[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46050291
1-[4-(4-fluoro-3-methylphenoxy)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one
CID 46073918
4-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46072942
(3,4-dichlorophenyl)-[4-(4-fluoro-3-methylphenoxy)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42871182
[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(1R,2S)-2-methylcyclopropyl]methanone
CID 92583619
2-(4-fluorophenyl)-1-[4-(4-methylphenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 46073296

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenoxy)-N-ethyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(3,4-difluorophenoxy)-N-ethyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 46072958) is 4-(3,4-difluorophenoxy)-N-ethyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(3,4-difluorophenoxy)-N-ethyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(3,4-difluorophenoxy)-N-ethyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCNC(=O)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)c(F)c3)c2C1.
What is the InChIKey of 4-(3,4-difluorophenoxy)-N-ethyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is LYIBIABZTUCVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5O2/c1-2-23-20(28)27-10-7-17-14(12-27)18(25-19(24-17)26-8-3-4-9-26)29-13-5-6-15(21)16(22)11-13/h5-6,11H,2-4,7-10,12H2,1H3,(H,23,28).
What are the key properties of 4-(3,4-difluorophenoxy)-N-ethyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
4-(3,4-difluorophenoxy)-N-ethyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 403.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenoxy)-N-ethyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46072958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).