[6-[(4-fluorophenyl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C20H24FN5O — CID 56889704

IUPAC[6-[(4-fluorophenyl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C20H24FN5O/c1-22-20-23-17-8-11-25(12-14-4-6-15(21)7-5-14)13-16(17)18(24-20)19(27)26-9-2-3-10-26/h4-7H,2-3,8-13H2,1H3,(H,22,23,24)
InChIKeyGRXPKMCMKXNQOA-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.45
Rot. Bonds4

About [6-[(4-fluorophenyl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[6-[(4-fluorophenyl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56889704) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is [6-[(4-fluorophenyl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(4-fluorophenyl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID56889704
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name[6-[(4-fluorophenyl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C20H24FN5O/c1-22-20-23-17-8-11-25(12-14-4-6-15(21)7-5-14)13-16(17)18(24-20)19(27)26-9-2-3-10-26/h4-7H,2-3,8-13H2,1H3,(H,22,23,24)
InChIKeyGRXPKMCMKXNQOA-UHFFFAOYSA-N
XLogP2.45
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[(4-fluorophenyl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[(4-fluorophenyl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 56889704) is [6-[(4-fluorophenyl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[(4-fluorophenyl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[(4-fluorophenyl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of [6-[(4-fluorophenyl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GRXPKMCMKXNQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-22-20-23-17-8-11-25(12-14-4-6-15(21)7-5-14)13-16(17)18(24-20)19(27)26-9-2-3-10-26/h4-7H,2-3,8-13H2,1H3,(H,22,23,24).
What are the key properties of [6-[(4-fluorophenyl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[6-[(4-fluorophenyl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 369.44 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-fluorophenyl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56889704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).