3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

C22H25F2N7O — CID 167049822

IUPAC3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCN1CCc2c(cc(Nc3ncc4ccnc(N5CCC(F)(F)CC5)c4n3)c(=O)n2C)C1
InChIInChI=1S/C22H25F2N7O/c1-29-8-4-17-15(13-29)11-16(20(32)30(17)2)27-21-26-12-14-3-7-25-19(18(14)28-21)31-9-5-22(23,24)6-10-31/h3,7,11-12H,4-6,8-10,13H2,1-2H3,(H,26,27,28)
InChIKeyIQQSIBHAYYOHLS-UHFFFAOYSA-N
MW441.49 g/mol
LogP2.69
Rot. Bonds3

About 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 167049822) has the molecular formula C22H25F2N7O and a molecular weight of 441.49 g/mol. Its IUPAC name is 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID167049822
Molecular FormulaC22H25F2N7O
Molecular Weight441.49 g/mol
Exact Mass441.21
IUPAC Name3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCN1CCc2c(cc(Nc3ncc4ccnc(N5CCC(F)(F)CC5)c4n3)c(=O)n2C)C1
InChIInChI=1S/C22H25F2N7O/c1-29-8-4-17-15(13-29)11-16(20(32)30(17)2)27-21-26-12-14-3-7-25-19(18(14)28-21)31-9-5-22(23,24)6-10-31/h3,7,11-12H,4-6,8-10,13H2,1-2H3,(H,26,27,28)
InChIKeyIQQSIBHAYYOHLS-UHFFFAOYSA-N
XLogP2.69
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 167049822) is 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is CN1CCc2c(cc(Nc3ncc4ccnc(N5CCC(F)(F)CC5)c4n3)c(=O)n2C)C1.
What is the InChIKey of 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is IQQSIBHAYYOHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N7O/c1-29-8-4-17-15(13-29)11-16(20(32)30(17)2)27-21-26-12-14-3-7-25-19(18(14)28-21)31-9-5-22(23,24)6-10-31/h3,7,11-12H,4-6,8-10,13H2,1-2H3,(H,26,27,28).
What are the key properties of 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 441.49 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[8-(4,4-difluoropiperidin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 167049822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).