1-[7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-4-yl]-N-methylpiperidin-3-amine;cyclopropane;ethyl formate

C32H42ClFN8O3 — CID 177330250

About 1-[7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-4-yl]-N-methylpiperidin-3-amine;cyclopropane;ethyl formate

1-[7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-4-yl]-N-methylpiperidin-3-amine;cyclopropane;ethyl formate (PubChem CID 177330250) has the molecular formula C32H42ClFN8O3 and a molecular weight of 641.19 g/mol. Its IUPAC name is 1-[7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-4-yl]-N-methylpiperidin-3-amine;cyclopropane;ethyl formate.

Molecular Properties

• Compound Name: 1-[7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-4-yl]-N-methylpiperidin-3-amine;cyclopropane;ethyl formate
• PubChem CID: 177330250
• Molecular Formula: C32H42ClFN8O3
• Molecular Weight: 641.19 g/mol
• Exact Mass: 640.31
• IUPAC Name: 1-[7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-4-yl]-N-methylpiperidin-3-amine;cyclopropane;ethyl formate
• SMILES: C1CC1.CCOC=O.CNC1CCCN(c2nc(OCC3CCCN3C)nc3c(F)c(-c4cc(Cl)cc5[nH]ncc45)ncc23)C1
• InChI: InChI=1S/C26H30ClFN8O.C3H6O2.C3H6/c1-29-16-5-3-8-36(13-16)25-20-11-30-23(18-9-15(27)10-21-19(18)12-31-34-21)22(28)24(20)32-26(33-25)37-14-17-6-4-7-35(17)2;1-2-5-3-4;1-2-3-1/h9-12,16-17,29H,3-8,13-14H2,1-2H3,(H,31,34);3H,2H2,1H3;1-3H2
• InChIKey: XNERDNFQGMGUAE-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 121.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.19
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-4-yl]-N-methylpiperidin-3-amine;cyclopropane;ethyl formate?

The IUPAC name of 1-[7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-4-yl]-N-methylpiperidin-3-amine;cyclopropane;ethyl formate (CID 177330250) is 1-[7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-4-yl]-N-methylpiperidin-3-amine;cyclopropane;ethyl formate.

What is the SMILES notation for 1-[7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-4-yl]-N-methylpiperidin-3-amine;cyclopropane;ethyl formate?

The canonical SMILES for 1-[7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-4-yl]-N-methylpiperidin-3-amine;cyclopropane;ethyl formate is C1CC1.CCOC=O.CNC1CCCN(c2nc(OCC3CCCN3C)nc3c(F)c(-c4cc(Cl)cc5[nH]ncc45)ncc23)C1.

What is the InChIKey of 1-[7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-4-yl]-N-methylpiperidin-3-amine;cyclopropane;ethyl formate?

The InChIKey is XNERDNFQGMGUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClFN8O.C3H6O2.C3H6/c1-29-16-5-3-8-36(13-16)25-20-11-30-23(18-9-15(27)10-21-19(18)12-31-34-21)22(28)24(20)32-26(33-25)37-14-17-6-4-7-35(17)2;1-2-5-3-4;1-2-3-1/h9-12,16-17,29H,3-8,13-14H2,1-2H3,(H,31,34);3H,2H2,1H3;1-3H2.

What are the key properties of 1-[7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-4-yl]-N-methylpiperidin-3-amine;cyclopropane;ethyl formate?

1-[7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-4-yl]-N-methylpiperidin-3-amine;cyclopropane;ethyl formate has a molecular weight of 641.19 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-4-yl]-N-methylpiperidin-3-amine;cyclopropane;ethyl formate is sourced from PubChem (CID 177330250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).