6-fluoro-7-(8-fluoronaphthalen-1-yl)-4-(2-methylpiperazin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine

C28H30F2N6O — CID 165124014

IUPAC6-fluoro-7-(8-fluoronaphthalen-1-yl)-4-(2-methylpiperazin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine
SMILESCC1CNCCN1c1nc(OC[C@@H]2CCCN2C)nc2nc(-c3cccc4cccc(F)c34)c(F)cc12
InChIInChI=1S/C28H30F2N6O/c1-17-15-31-11-13-36(17)27-21-14-23(30)25(20-9-3-6-18-7-4-10-22(29)24(18)20)32-26(21)33-28(34-27)37-16-19-8-5-12-35(19)2/h3-4,6-7,9-10,14,17,19,31H,5,8,11-13,15-16H2,1-2H3/t17?,19-/m0/s1
InChIKeyTXKAASGUODKJJL-NNBQYGFHSA-N
MW504.59 g/mol
LogP4.39
Rot. Bonds5

About 6-fluoro-7-(8-fluoronaphthalen-1-yl)-4-(2-methylpiperazin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine

6-fluoro-7-(8-fluoronaphthalen-1-yl)-4-(2-methylpiperazin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine (PubChem CID 165124014) has the molecular formula C28H30F2N6O and a molecular weight of 504.59 g/mol. Its IUPAC name is 6-fluoro-7-(8-fluoronaphthalen-1-yl)-4-(2-methylpiperazin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-fluoro-7-(8-fluoronaphthalen-1-yl)-4-(2-methylpiperazin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine
PubChem CID165124014
Molecular FormulaC28H30F2N6O
Molecular Weight504.59 g/mol
Exact Mass504.24
IUPAC Name6-fluoro-7-(8-fluoronaphthalen-1-yl)-4-(2-methylpiperazin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine
SMILESCC1CNCCN1c1nc(OC[C@@H]2CCCN2C)nc2nc(-c3cccc4cccc(F)c34)c(F)cc12
InChIInChI=1S/C28H30F2N6O/c1-17-15-31-11-13-36(17)27-21-14-23(30)25(20-9-3-6-18-7-4-10-22(29)24(18)20)32-26(21)33-28(34-27)37-16-19-8-5-12-35(19)2/h3-4,6-7,9-10,14,17,19,31H,5,8,11-13,15-16H2,1-2H3/t17?,19-/m0/s1
InChIKeyTXKAASGUODKJJL-NNBQYGFHSA-N
XLogP4.39
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-7-(8-fluoronaphthalen-1-yl)-4-(2-methylpiperazin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine
CID 162369735
US11453683, Example 281
CID 156125086
US11453683, Example 189
CID 156125087
7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine
CID 155233433
4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine
CID 164521436
4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-naphthalen-1-ylpyrido[4,3-d]pyrimidine
CID 164521761
4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(8-methylnaphthalen-1-yl)pyrido[4,3-d]pyrimidine
CID 164521791
4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethylnaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine
CID 164521825
4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(7,8-difluoronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine
CID 166625303
4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-7-(7-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine
CID 166632182
US11453683, Example 426
CID 156124749
US11453683, Example 381
CID 156125170

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(8-fluoronaphthalen-1-yl)-4-(2-methylpiperazin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine?
The IUPAC name of 6-fluoro-7-(8-fluoronaphthalen-1-yl)-4-(2-methylpiperazin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine (CID 165124014) is 6-fluoro-7-(8-fluoronaphthalen-1-yl)-4-(2-methylpiperazin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 6-fluoro-7-(8-fluoronaphthalen-1-yl)-4-(2-methylpiperazin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine?
The canonical SMILES for 6-fluoro-7-(8-fluoronaphthalen-1-yl)-4-(2-methylpiperazin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine is CC1CNCCN1c1nc(OC[C@@H]2CCCN2C)nc2nc(-c3cccc4cccc(F)c34)c(F)cc12.
What is the InChIKey of 6-fluoro-7-(8-fluoronaphthalen-1-yl)-4-(2-methylpiperazin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine?
The InChIKey is TXKAASGUODKJJL-NNBQYGFHSA-N. The full InChI is InChI=1S/C28H30F2N6O/c1-17-15-31-11-13-36(17)27-21-14-23(30)25(20-9-3-6-18-7-4-10-22(29)24(18)20)32-26(21)33-28(34-27)37-16-19-8-5-12-35(19)2/h3-4,6-7,9-10,14,17,19,31H,5,8,11-13,15-16H2,1-2H3/t17?,19-/m0/s1.
What are the key properties of 6-fluoro-7-(8-fluoronaphthalen-1-yl)-4-(2-methylpiperazin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine?
6-fluoro-7-(8-fluoronaphthalen-1-yl)-4-(2-methylpiperazin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine has a molecular weight of 504.59 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(8-fluoronaphthalen-1-yl)-4-(2-methylpiperazin-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 165124014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).