(Z)-2-fluoro-N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-2-methoxy-5-methylanilino)-7-methoxyquinazolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide

C32H32FN7O4 — CID 169230803

About (Z)-2-fluoro-N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-2-methoxy-5-methylanilino)-7-methoxyquinazolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide

(Z)-2-fluoro-N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-2-methoxy-5-methylanilino)-7-methoxyquinazolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide (PubChem CID 169230803) has the molecular formula C32H32FN7O4 and a molecular weight of 597.65 g/mol. Its IUPAC name is (Z)-2-fluoro-N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-2-methoxy-5-methylanilino)-7-methoxyquinazolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide.

Molecular Properties

• Compound Name: (Z)-2-fluoro-N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-2-methoxy-5-methylanilino)-7-methoxyquinazolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide
• PubChem CID: 169230803
• Molecular Formula: C32H32FN7O4
• Molecular Weight: 597.65 g/mol
• Exact Mass: 597.25
• IUPAC Name: (Z)-2-fluoro-N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-2-methoxy-5-methylanilino)-7-methoxyquinazolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide
• SMILES: COc1cc2ncnc(Nc3cc(C)c(Oc4ccn5ccnc5c4)cc3OC)c2cc1NC(=O)/C(F)=C/[C@H]1CCCN1C
• InChI: InChI=1S/C32H32FN7O4/c1-19-12-25(29(43-4)17-27(19)44-21-7-10-40-11-8-34-30(40)14-21)37-31-22-15-26(28(42-3)16-24(22)35-18-36-31)38-32(41)23(33)13-20-6-5-9-39(20)2/h7-8,10-18,20H,5-6,9H2,1-4H3,(H,38,41)(H,35,36,37)/b23-13-/t20-/m1/s1
• InChIKey: HTYNLMWOTYASTB-XBPUZACXSA-N
• XLogP: 6.03
• TPSA: 115.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.65
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-2-methoxy-5-methylanilino)-7-methoxyquinazolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide?

The IUPAC name of (Z)-2-fluoro-N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-2-methoxy-5-methylanilino)-7-methoxyquinazolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide (CID 169230803) is (Z)-2-fluoro-N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-2-methoxy-5-methylanilino)-7-methoxyquinazolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide.

What is the SMILES notation for (Z)-2-fluoro-N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-2-methoxy-5-methylanilino)-7-methoxyquinazolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide?

The canonical SMILES for (Z)-2-fluoro-N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-2-methoxy-5-methylanilino)-7-methoxyquinazolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide is COc1cc2ncnc(Nc3cc(C)c(Oc4ccn5ccnc5c4)cc3OC)c2cc1NC(=O)/C(F)=C/[C@H]1CCCN1C.

What is the InChIKey of (Z)-2-fluoro-N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-2-methoxy-5-methylanilino)-7-methoxyquinazolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide?

The InChIKey is HTYNLMWOTYASTB-XBPUZACXSA-N. The full InChI is InChI=1S/C32H32FN7O4/c1-19-12-25(29(43-4)17-27(19)44-21-7-10-40-11-8-34-30(40)14-21)37-31-22-15-26(28(42-3)16-24(22)35-18-36-31)38-32(41)23(33)13-20-6-5-9-39(20)2/h7-8,10-18,20H,5-6,9H2,1-4H3,(H,38,41)(H,35,36,37)/b23-13-/t20-/m1/s1.

What are the key properties of (Z)-2-fluoro-N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-2-methoxy-5-methylanilino)-7-methoxyquinazolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide?

(Z)-2-fluoro-N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-2-methoxy-5-methylanilino)-7-methoxyquinazolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide has a molecular weight of 597.65 g/mol, XLogP of 6.03, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-fluoro-N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-2-methoxy-5-methylanilino)-7-methoxyquinazolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide is sourced from PubChem (CID 169230803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).