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

C28H33FN6O3 — CID 59703474

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

N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]cyclopropanecarboxamide (PubChem CID 59703474) has the molecular formula C28H33FN6O3 and a molecular weight of 520.61 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]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]cyclopropanecarboxamide
• PubChem CID: 59703474
• Molecular Formula: C28H33FN6O3
• Molecular Weight: 520.61 g/mol
• Exact Mass: 520.26
• IUPAC Name: N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]cyclopropanecarboxamide
• SMILES: C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(F)c(CNC(=O)C4CC4)c3)nc2n1
• InChI: InChI=1S/C28H33FN6O3/c1-17-15-37-11-9-34(17)26-22-6-8-24(31-25(22)32-28(33-26)35-10-12-38-16-18(35)2)20-5-7-23(29)21(13-20)14-30-27(36)19-3-4-19/h5-8,13,17-19H,3-4,9-12,14-16H2,1-2H3,(H,30,36)/t17-,18-/m0/s1
• InChIKey: CMAJMDRROXONLO-ROUUACIJSA-N
• XLogP: 3.31
• TPSA: 92.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.61
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
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]cyclopropanecarboxamide?

The IUPAC name of N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]cyclopropanecarboxamide (CID 59703474) is N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]cyclopropanecarboxamide.

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]cyclopropanecarboxamide?

The canonical SMILES for N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]cyclopropanecarboxamide is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(F)c(CNC(=O)C4CC4)c3)nc2n1.

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]cyclopropanecarboxamide?

The InChIKey is CMAJMDRROXONLO-ROUUACIJSA-N. The full InChI is InChI=1S/C28H33FN6O3/c1-17-15-37-11-9-34(17)26-22-6-8-24(31-25(22)32-28(33-26)35-10-12-38-16-18(35)2)20-5-7-23(29)21(13-20)14-30-27(36)19-3-4-19/h5-8,13,17-19H,3-4,9-12,14-16H2,1-2H3,(H,30,36)/t17-,18-/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]cyclopropanecarboxamide?

N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]cyclopropanecarboxamide has a molecular weight of 520.61 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 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]cyclopropanecarboxamide is sourced from PubChem (CID 59703474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).