[4-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,3-dihydrofuran-5-yl)methanone

C24H24F3N7O2 — CID 71221436

IUPAC[4-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,3-dihydrofuran-5-yl)methanone
SMILESCNc1nc(N)nc2nc(-c3c(N4CCN(C(=O)C5=CCCO5)CC4)cccc3C(F)(F)F)ccc12
InChIInChI=1S/C24H24F3N7O2/c1-29-20-14-7-8-16(30-21(14)32-23(28)31-20)19-15(24(25,26)27)4-2-5-17(19)33-9-11-34(12-10-33)22(35)18-6-3-13-36-18/h2,4-8H,3,9-13H2,1H3,(H3,28,29,30,31,32)
InChIKeyLQUFZXNMENCIDD-UHFFFAOYSA-N
MW499.50 g/mol
LogP3.29
Rot. Bonds4

About [4-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,3-dihydrofuran-5-yl)methanone

[4-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,3-dihydrofuran-5-yl)methanone (PubChem CID 71221436) has the molecular formula C24H24F3N7O2 and a molecular weight of 499.50 g/mol. Its IUPAC name is [4-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,3-dihydrofuran-5-yl)methanone.

Molecular Properties

Compound Name[4-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,3-dihydrofuran-5-yl)methanone
PubChem CID71221436
Molecular FormulaC24H24F3N7O2
Molecular Weight499.50 g/mol
Exact Mass499.19
IUPAC Name[4-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,3-dihydrofuran-5-yl)methanone
SMILESCNc1nc(N)nc2nc(-c3c(N4CCN(C(=O)C5=CCCO5)CC4)cccc3C(F)(F)F)ccc12
InChIInChI=1S/C24H24F3N7O2/c1-29-20-14-7-8-16(30-21(14)32-23(28)31-20)19-15(24(25,26)27)4-2-5-17(19)33-9-11-34(12-10-33)22(35)18-6-3-13-36-18/h2,4-8H,3,9-13H2,1H3,(H3,28,29,30,31,32)
InChIKeyLQUFZXNMENCIDD-UHFFFAOYSA-N
XLogP3.29
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.50
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,3-dihydrofuran-5-yl)methanone with MolForge

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Related Compounds

4-N-methyl-7-[2-piperazin-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 141163361
7-[2-(4-cyclohexylpiperazin-1-yl)-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 15982189
7-[2-(4-cyclohexylpiperazin-1-yl)-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 15982190
2-[4-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-propan-2-ylacetamide;2,2,2-trifluoroacetic acid
CID 87566537
4-N-methyl-7-[2-pyrrol-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 141163355
7-(2-fluoro-6-thiomorpholin-4-ylphenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 15982058
[1-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate
CID 87566213
7-[2-[3-(aminomethyl)piperidin-1-yl]-6-fluorophenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 15982565
7-[2-(4-chlorophenoxy)-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 15983352
7-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-N-methylquinazoline-2,4-diamine;2,2,2-trifluoroacetic acid
CID 69077886
3-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenoxy]propan-1-ol;2,2,2-trifluoroacetic acid
CID 68767098
4-N-methyl-7-phenyl-6-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 68766237

Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,3-dihydrofuran-5-yl)methanone?
The IUPAC name of [4-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,3-dihydrofuran-5-yl)methanone (CID 71221436) is [4-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,3-dihydrofuran-5-yl)methanone.
What is the SMILES notation for [4-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,3-dihydrofuran-5-yl)methanone?
The canonical SMILES for [4-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,3-dihydrofuran-5-yl)methanone is CNc1nc(N)nc2nc(-c3c(N4CCN(C(=O)C5=CCCO5)CC4)cccc3C(F)(F)F)ccc12.
What is the InChIKey of [4-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,3-dihydrofuran-5-yl)methanone?
The InChIKey is LQUFZXNMENCIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O2/c1-29-20-14-7-8-16(30-21(14)32-23(28)31-20)19-15(24(25,26)27)4-2-5-17(19)33-9-11-34(12-10-33)22(35)18-6-3-13-36-18/h2,4-8H,3,9-13H2,1H3,(H3,28,29,30,31,32).
What are the key properties of [4-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,3-dihydrofuran-5-yl)methanone?
[4-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,3-dihydrofuran-5-yl)methanone has a molecular weight of 499.50 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[2-amino-4-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]-3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,3-dihydrofuran-5-yl)methanone is sourced from PubChem (CID 71221436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).