N-[4-methoxy-5-[[4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-[methyl-(1-methylpiperidin-3-yl)amino]phenyl]prop-2-enamide

C29H34N8O2 — CID 147431312

About N-[4-methoxy-5-[[4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-[methyl-(1-methylpiperidin-3-yl)amino]phenyl]prop-2-enamide

N-[4-methoxy-5-[[4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-[methyl-(1-methylpiperidin-3-yl)amino]phenyl]prop-2-enamide (PubChem CID 147431312) has the molecular formula C29H34N8O2 and a molecular weight of 526.65 g/mol. Its IUPAC name is N-[4-methoxy-5-[[4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-[methyl-(1-methylpiperidin-3-yl)amino]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[4-methoxy-5-[[4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-[methyl-(1-methylpiperidin-3-yl)amino]phenyl]prop-2-enamide
• PubChem CID: 147431312
• Molecular Formula: C29H34N8O2
• Molecular Weight: 526.65 g/mol
• Exact Mass: 526.28
• IUPAC Name: N-[4-methoxy-5-[[4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-[methyl-(1-methylpiperidin-3-yl)amino]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(Nc2nccc(-c3cnc4c(C)cccn34)n2)c(OC)cc1N(C)C1CCCN(C)C1
• InChI: InChI=1S/C29H34N8O2/c1-6-27(38)32-22-15-23(26(39-5)16-24(22)36(4)20-10-8-13-35(3)18-20)34-29-30-12-11-21(33-29)25-17-31-28-19(2)9-7-14-37(25)28/h6-7,9,11-12,14-17,20H,1,8,10,13,18H2,2-5H3,(H,32,38)(H,30,33,34)
• InChIKey: DUJVRZBXBXDRHL-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 99.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.65
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-5-[[4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-[methyl-(1-methylpiperidin-3-yl)amino]phenyl]prop-2-enamide?

The IUPAC name of N-[4-methoxy-5-[[4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-[methyl-(1-methylpiperidin-3-yl)amino]phenyl]prop-2-enamide (CID 147431312) is N-[4-methoxy-5-[[4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-[methyl-(1-methylpiperidin-3-yl)amino]phenyl]prop-2-enamide.

What is the SMILES notation for N-[4-methoxy-5-[[4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-[methyl-(1-methylpiperidin-3-yl)amino]phenyl]prop-2-enamide?

The canonical SMILES for N-[4-methoxy-5-[[4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-[methyl-(1-methylpiperidin-3-yl)amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2nccc(-c3cnc4c(C)cccn34)n2)c(OC)cc1N(C)C1CCCN(C)C1.

What is the InChIKey of N-[4-methoxy-5-[[4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-[methyl-(1-methylpiperidin-3-yl)amino]phenyl]prop-2-enamide?

The InChIKey is DUJVRZBXBXDRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N8O2/c1-6-27(38)32-22-15-23(26(39-5)16-24(22)36(4)20-10-8-13-35(3)18-20)34-29-30-12-11-21(33-29)25-17-31-28-19(2)9-7-14-37(25)28/h6-7,9,11-12,14-17,20H,1,8,10,13,18H2,2-5H3,(H,32,38)(H,30,33,34).

What are the key properties of N-[4-methoxy-5-[[4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-[methyl-(1-methylpiperidin-3-yl)amino]phenyl]prop-2-enamide?

N-[4-methoxy-5-[[4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-[methyl-(1-methylpiperidin-3-yl)amino]phenyl]prop-2-enamide has a molecular weight of 526.65 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methoxy-5-[[4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-2-[methyl-(1-methylpiperidin-3-yl)amino]phenyl]prop-2-enamide is sourced from PubChem (CID 147431312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).