N-[5-chloro-2-[4-[[4-[3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-methylpiperidin-1-yl]pyrimidin-4-yl]-3,3,9-trifluoro-2,7-dimethyl-6-methylidene-1,2,4,5-tetrahydroazepino[3,2-c]quinolin-10-amine;cyclopropane

C50H62ClF3N10 — CID 176936184

About N-[5-chloro-2-[4-[[4-[3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-methylpiperidin-1-yl]pyrimidin-4-yl]-3,3,9-trifluoro-2,7-dimethyl-6-methylidene-1,2,4,5-tetrahydroazepino[3,2-c]quinolin-10-amine;cyclopropane

N-[5-chloro-2-[4-[[4-[3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-methylpiperidin-1-yl]pyrimidin-4-yl]-3,3,9-trifluoro-2,7-dimethyl-6-methylidene-1,2,4,5-tetrahydroazepino[3,2-c]quinolin-10-amine;cyclopropane (PubChem CID 176936184) has the molecular formula C50H62ClF3N10 and a molecular weight of 895.56 g/mol. Its IUPAC name is N-[5-chloro-2-[4-[[4-[3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-methylpiperidin-1-yl]pyrimidin-4-yl]-3,3,9-trifluoro-2,7-dimethyl-6-methylidene-1,2,4,5-tetrahydroazepino[3,2-c]quinolin-10-amine;cyclopropane.

Molecular Properties

• Compound Name: N-[5-chloro-2-[4-[[4-[3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-methylpiperidin-1-yl]pyrimidin-4-yl]-3,3,9-trifluoro-2,7-dimethyl-6-methylidene-1,2,4,5-tetrahydroazepino[3,2-c]quinolin-10-amine;cyclopropane
• PubChem CID: 176936184
• Molecular Formula: C50H62ClF3N10
• Molecular Weight: 895.56 g/mol
• Exact Mass: 894.48
• IUPAC Name: N-[5-chloro-2-[4-[[4-[3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-methylpiperidin-1-yl]pyrimidin-4-yl]-3,3,9-trifluoro-2,7-dimethyl-6-methylidene-1,2,4,5-tetrahydroazepino[3,2-c]quinolin-10-amine;cyclopropane
• SMILES: C1CC1.C=C1CCC(c2nn(C)c3cc(C4CCN(CC5CCN(c6ncc(Cl)c(Nc7cc8c(cc7F)N(C)C(=C)C7=C8NC(C)C(F)(F)CC7)n6)CC5C)CC4)ccc23)C(=C)N1
• InChI: InChI=1S/C47H56ClF3N10.C3H6/c1-26-24-61(19-15-33(26)25-60-17-13-31(14-18-60)32-9-11-36-42(20-32)59(7)57-44(36)34-10-8-27(2)53-28(34)3)46-52-23-38(48)45(56-46)55-40-21-37-41(22-39(40)49)58(6)29(4)35-12-16-47(50,51)30(5)54-43(35)37;1-2-3-1/h9,11,20-23,26,30-31,33-34,53-54H,2-4,8,10,12-19,24-25H2,1,5-7H3,(H,52,55,56);1-3H2
• InChIKey: NKBHGSKVSBHLPK-UHFFFAOYSA-N
• XLogP: 10.99
• TPSA: 89.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.56
LogP ≤ 5	10.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[4-[[4-[3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-methylpiperidin-1-yl]pyrimidin-4-yl]-3,3,9-trifluoro-2,7-dimethyl-6-methylidene-1,2,4,5-tetrahydroazepino[3,2-c]quinolin-10-amine;cyclopropane?

The IUPAC name of N-[5-chloro-2-[4-[[4-[3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-methylpiperidin-1-yl]pyrimidin-4-yl]-3,3,9-trifluoro-2,7-dimethyl-6-methylidene-1,2,4,5-tetrahydroazepino[3,2-c]quinolin-10-amine;cyclopropane (CID 176936184) is N-[5-chloro-2-[4-[[4-[3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-methylpiperidin-1-yl]pyrimidin-4-yl]-3,3,9-trifluoro-2,7-dimethyl-6-methylidene-1,2,4,5-tetrahydroazepino[3,2-c]quinolin-10-amine;cyclopropane.

What is the SMILES notation for N-[5-chloro-2-[4-[[4-[3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-methylpiperidin-1-yl]pyrimidin-4-yl]-3,3,9-trifluoro-2,7-dimethyl-6-methylidene-1,2,4,5-tetrahydroazepino[3,2-c]quinolin-10-amine;cyclopropane?

The canonical SMILES for N-[5-chloro-2-[4-[[4-[3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-methylpiperidin-1-yl]pyrimidin-4-yl]-3,3,9-trifluoro-2,7-dimethyl-6-methylidene-1,2,4,5-tetrahydroazepino[3,2-c]quinolin-10-amine;cyclopropane is C1CC1.C=C1CCC(c2nn(C)c3cc(C4CCN(CC5CCN(c6ncc(Cl)c(Nc7cc8c(cc7F)N(C)C(=C)C7=C8NC(C)C(F)(F)CC7)n6)CC5C)CC4)ccc23)C(=C)N1.

What is the InChIKey of N-[5-chloro-2-[4-[[4-[3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-methylpiperidin-1-yl]pyrimidin-4-yl]-3,3,9-trifluoro-2,7-dimethyl-6-methylidene-1,2,4,5-tetrahydroazepino[3,2-c]quinolin-10-amine;cyclopropane?

The InChIKey is NKBHGSKVSBHLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H56ClF3N10.C3H6/c1-26-24-61(19-15-33(26)25-60-17-13-31(14-18-60)32-9-11-36-42(20-32)59(7)57-44(36)34-10-8-27(2)53-28(34)3)46-52-23-38(48)45(56-46)55-40-21-37-41(22-39(40)49)58(6)29(4)35-12-16-47(50,51)30(5)54-43(35)37;1-2-3-1/h9,11,20-23,26,30-31,33-34,53-54H,2-4,8,10,12-19,24-25H2,1,5-7H3,(H,52,55,56);1-3H2.

What are the key properties of N-[5-chloro-2-[4-[[4-[3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-methylpiperidin-1-yl]pyrimidin-4-yl]-3,3,9-trifluoro-2,7-dimethyl-6-methylidene-1,2,4,5-tetrahydroazepino[3,2-c]quinolin-10-amine;cyclopropane?

N-[5-chloro-2-[4-[[4-[3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-methylpiperidin-1-yl]pyrimidin-4-yl]-3,3,9-trifluoro-2,7-dimethyl-6-methylidene-1,2,4,5-tetrahydroazepino[3,2-c]quinolin-10-amine;cyclopropane has a molecular weight of 895.56 g/mol, XLogP of 10.99, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-2-[4-[[4-[3-(2,6-dimethylidenepiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]-3-methylpiperidin-1-yl]pyrimidin-4-yl]-3,3,9-trifluoro-2,7-dimethyl-6-methylidene-1,2,4,5-tetrahydroazepino[3,2-c]quinolin-10-amine;cyclopropane is sourced from PubChem (CID 176936184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).