ethyl 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-[(4-methoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]-3-methyliminopropanoate

C35H34FN7O4 — CID 123373451

About ethyl 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-[(4-methoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]-3-methyliminopropanoate

ethyl 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-[(4-methoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]-3-methyliminopropanoate (PubChem CID 123373451) has the molecular formula C35H34FN7O4 and a molecular weight of 635.70 g/mol. Its IUPAC name is ethyl 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-[(4-methoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]-3-methyliminopropanoate.

Molecular Properties

• Compound Name: ethyl 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-[(4-methoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]-3-methyliminopropanoate
• PubChem CID: 123373451
• Molecular Formula: C35H34FN7O4
• Molecular Weight: 635.70 g/mol
• Exact Mass: 635.27
• IUPAC Name: ethyl 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-[(4-methoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]-3-methyliminopropanoate
• SMILES: CCOC(=O)C(/C=N/C)c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2c1C(C)(C)C(=O)N2Cc1ccc(OC)cc1
• InChI: InChI=1S/C35H34FN7O4/c1-6-47-33(44)25(18-37-4)28-27-32(42(34(45)35(27,2)3)19-21-13-15-23(46-5)16-14-21)40-30(39-28)29-24-11-9-17-38-31(24)43(41-29)20-22-10-7-8-12-26(22)36/h7-18,25H,6,19-20H2,1-5H3/b37-18+
• InChIKey: SVYGZRBUJYDMNA-RQRWGXNHSA-N
• XLogP: 5.26
• TPSA: 124.69 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.70
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-[(4-methoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]-3-methyliminopropanoate?

The IUPAC name of ethyl 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-[(4-methoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]-3-methyliminopropanoate (CID 123373451) is ethyl 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-[(4-methoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]-3-methyliminopropanoate.

What is the SMILES notation for ethyl 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-[(4-methoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]-3-methyliminopropanoate?

The canonical SMILES for ethyl 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-[(4-methoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]-3-methyliminopropanoate is CCOC(=O)C(/C=N/C)c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2c1C(C)(C)C(=O)N2Cc1ccc(OC)cc1.

What is the InChIKey of ethyl 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-[(4-methoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]-3-methyliminopropanoate?

The InChIKey is SVYGZRBUJYDMNA-RQRWGXNHSA-N. The full InChI is InChI=1S/C35H34FN7O4/c1-6-47-33(44)25(18-37-4)28-27-32(42(34(45)35(27,2)3)19-21-13-15-23(46-5)16-14-21)40-30(39-28)29-24-11-9-17-38-31(24)43(41-29)20-22-10-7-8-12-26(22)36/h7-18,25H,6,19-20H2,1-5H3/b37-18+.

What are the key properties of ethyl 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-[(4-methoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]-3-methyliminopropanoate?

ethyl 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-[(4-methoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]-3-methyliminopropanoate has a molecular weight of 635.70 g/mol, XLogP of 5.26, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-[(4-methoxyphenyl)methyl]-5,5-dimethyl-6-oxopyrrolo[2,3-d]pyrimidin-4-yl]-3-methyliminopropanoate is sourced from PubChem (CID 123373451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).