N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]-N-methylpropan-2-amine

C28H37FN6O2 — CID 57441969

About N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]-N-methylpropan-2-amine

N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]-N-methylpropan-2-amine (PubChem CID 57441969) has the molecular formula C28H37FN6O2 and a molecular weight of 508.64 g/mol. Its IUPAC name is N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]-N-methylpropan-2-amine.

Molecular Properties

• Compound Name: N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]-N-methylpropan-2-amine
• PubChem CID: 57441969
• Molecular Formula: C28H37FN6O2
• Molecular Weight: 508.64 g/mol
• Exact Mass: 508.30
• IUPAC Name: N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]-N-methylpropan-2-amine
• SMILES: CC(C)N(C)Cc1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)ccc1F
• InChI: InChI=1S/C28H37FN6O2/c1-18(2)33(5)15-22-14-21(6-8-24(22)29)25-9-7-23-26(30-25)31-28(35-11-13-37-17-20(35)4)32-27(23)34-10-12-36-16-19(34)3/h6-9,14,18-20H,10-13,15-17H2,1-5H3/t19-,20-/m0/s1
• InChIKey: JDNSMGMIXVYTSO-PMACEKPBSA-N
• XLogP: 4.12
• TPSA: 66.85 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.64
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]-N-methylpropan-2-amine?

The IUPAC name of N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]-N-methylpropan-2-amine (CID 57441969) is N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]-N-methylpropan-2-amine.

What is the SMILES notation for N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]-N-methylpropan-2-amine?

The canonical SMILES for N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]-N-methylpropan-2-amine is CC(C)N(C)Cc1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)ccc1F.

What is the InChIKey of N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]-N-methylpropan-2-amine?

The InChIKey is JDNSMGMIXVYTSO-PMACEKPBSA-N. The full InChI is InChI=1S/C28H37FN6O2/c1-18(2)33(5)15-22-14-21(6-8-24(22)29)25-9-7-23-26(30-25)31-28(35-11-13-37-17-20(35)4)32-27(23)34-10-12-36-16-19(34)3/h6-9,14,18-20H,10-13,15-17H2,1-5H3/t19-,20-/m0/s1.

What are the key properties of N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]-N-methylpropan-2-amine?

N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]-N-methylpropan-2-amine has a molecular weight of 508.64 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 57441969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).