7-(6-chloro-3,5-dimethyl-2H-indazol-4-yl)-6,8-difluoro-2-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazoline

C33H37ClF3N7O — CID 171769786

About 7-(6-chloro-3,5-dimethyl-2H-indazol-4-yl)-6,8-difluoro-2-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazoline

7-(6-chloro-3,5-dimethyl-2H-indazol-4-yl)-6,8-difluoro-2-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazoline (PubChem CID 171769786) has the molecular formula C33H37ClF3N7O and a molecular weight of 640.15 g/mol. Its IUPAC name is 7-(6-chloro-3,5-dimethyl-2H-indazol-4-yl)-6,8-difluoro-2-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazoline.

Molecular Properties

• Compound Name: 7-(6-chloro-3,5-dimethyl-2H-indazol-4-yl)-6,8-difluoro-2-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazoline
• PubChem CID: 171769786
• Molecular Formula: C33H37ClF3N7O
• Molecular Weight: 640.15 g/mol
• Exact Mass: 639.27
• IUPAC Name: 7-(6-chloro-3,5-dimethyl-2H-indazol-4-yl)-6,8-difluoro-2-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazoline
• SMILES: Cc1c(Cl)cc2n[nH]c(C)c2c1-c1c(F)cc2c(N3C[C@H]4CC[C@@](C)(C3)N4)nc(OCC3(CN4CC[C@@H](F)C4)CC3)nc2c1F
• InChI: InChI=1S/C33H37ClF3N7O/c1-17-22(34)11-24-26(18(2)41-42-24)25(17)27-23(36)10-21-29(28(27)37)38-31(39-30(21)44-13-20-4-6-32(3,14-44)40-20)45-16-33(7-8-33)15-43-9-5-19(35)12-43/h10-11,19-20,40H,4-9,12-16H2,1-3H3,(H,41,42)/t19-,20-,32+/m1/s1
• InChIKey: UQRARXIQEJIOOS-ONTKHRELSA-N
• XLogP: 6.26
• TPSA: 82.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.15
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(6-chloro-3,5-dimethyl-2H-indazol-4-yl)-6,8-difluoro-2-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazoline?

The IUPAC name of 7-(6-chloro-3,5-dimethyl-2H-indazol-4-yl)-6,8-difluoro-2-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazoline (CID 171769786) is 7-(6-chloro-3,5-dimethyl-2H-indazol-4-yl)-6,8-difluoro-2-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazoline.

What is the SMILES notation for 7-(6-chloro-3,5-dimethyl-2H-indazol-4-yl)-6,8-difluoro-2-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazoline?

The canonical SMILES for 7-(6-chloro-3,5-dimethyl-2H-indazol-4-yl)-6,8-difluoro-2-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazoline is Cc1c(Cl)cc2n[nH]c(C)c2c1-c1c(F)cc2c(N3C[C@H]4CC[C@@](C)(C3)N4)nc(OCC3(CN4CC[C@@H](F)C4)CC3)nc2c1F.

What is the InChIKey of 7-(6-chloro-3,5-dimethyl-2H-indazol-4-yl)-6,8-difluoro-2-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazoline?

The InChIKey is UQRARXIQEJIOOS-ONTKHRELSA-N. The full InChI is InChI=1S/C33H37ClF3N7O/c1-17-22(34)11-24-26(18(2)41-42-24)25(17)27-23(36)10-21-29(28(27)37)38-31(39-30(21)44-13-20-4-6-32(3,14-44)40-20)45-16-33(7-8-33)15-43-9-5-19(35)12-43/h10-11,19-20,40H,4-9,12-16H2,1-3H3,(H,41,42)/t19-,20-,32+/m1/s1.

What are the key properties of 7-(6-chloro-3,5-dimethyl-2H-indazol-4-yl)-6,8-difluoro-2-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazoline?

7-(6-chloro-3,5-dimethyl-2H-indazol-4-yl)-6,8-difluoro-2-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazoline has a molecular weight of 640.15 g/mol, XLogP of 6.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(6-chloro-3,5-dimethyl-2H-indazol-4-yl)-6,8-difluoro-2-[[1-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazoline is sourced from PubChem (CID 171769786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).