N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide

C66H62F2N18O2 — CID 136619711

IUPACN-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
SMILESCN(C)CCNc1cc(F)cc(-c2cncc3[nH]c(-c4nn(N(C)CCNc5cc(F)cc(-c6cncc7[nH]c(-c8n[nH]c9ccc(-c%10cncc(NC(=O)C%11CCCCC%11)c%10)cc89)nc67)c5)c5ccc(-c6cncc(NC(=O)C7CC7)c6)cc45)nc23)c1
InChIInChI=1S/C66H62F2N18O2/c1-84(2)17-15-73-47-21-41(19-45(67)27-47)54-34-72-36-57-60(54)80-64(78-57)62-52-26-40(44-24-50(32-70-30-44)76-66(88)38-9-10-38)12-14-58(52)86(83-62)85(3)18-16-74-48-22-42(20-46(68)28-48)53-33-71-35-56-59(53)79-63(77-56)61-51-25-39(11-13-55(51)81-82-61)43-23-49(31-69-29-43)75-65(87)37-7-5-4-6-8-37/h11-14,19-38,73-74H,4-10,15-18H2,1-3H3,(H,75,87)(H,76,88)(H,77,79)(H,78,80)(H,81,82)
InChIKeyCFOATUOUPCFWBI-UHFFFAOYSA-N
MW1177.34 g/mol
LogP12.05
Rot. Bonds19

About N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide

N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 136619711) has the molecular formula C66H62F2N18O2 and a molecular weight of 1177.34 g/mol. Its IUPAC name is N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
PubChem CID136619711
Molecular FormulaC66H62F2N18O2
Molecular Weight1177.34 g/mol
Exact Mass1176.53
IUPAC NameN-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
SMILESCN(C)CCNc1cc(F)cc(-c2cncc3[nH]c(-c4nn(N(C)CCNc5cc(F)cc(-c6cncc7[nH]c(-c8n[nH]c9ccc(-c%10cncc(NC(=O)C%11CCCCC%11)c%10)cc89)nc67)c5)c5ccc(-c6cncc(NC(=O)C7CC7)c6)cc45)nc23)c1
InChIInChI=1S/C66H62F2N18O2/c1-84(2)17-15-73-47-21-41(19-45(67)27-47)54-34-72-36-57-60(54)80-64(78-57)62-52-26-40(44-24-50(32-70-30-44)76-66(88)38-9-10-38)12-14-58(52)86(83-62)85(3)18-16-74-48-22-42(20-46(68)28-48)53-33-71-35-56-59(53)79-63(77-56)61-51-25-39(11-13-55(51)81-82-61)43-23-49(31-69-29-43)75-65(87)37-7-5-4-6-8-37/h11-14,19-38,73-74H,4-10,15-18H2,1-3H3,(H,75,87)(H,76,88)(H,77,79)(H,78,80)(H,81,82)
InChIKeyCFOATUOUPCFWBI-UHFFFAOYSA-N
XLogP12.05
TPSA244.16 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001177.34
LogP ≤ 512.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide (CID 136619711) is N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide is CN(C)CCNc1cc(F)cc(-c2cncc3[nH]c(-c4nn(N(C)CCNc5cc(F)cc(-c6cncc7[nH]c(-c8n[nH]c9ccc(-c%10cncc(NC(=O)C%11CCCCC%11)c%10)cc89)nc67)c5)c5ccc(-c6cncc(NC(=O)C7CC7)c6)cc45)nc23)c1.
What is the InChIKey of N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is CFOATUOUPCFWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H62F2N18O2/c1-84(2)17-15-73-47-21-41(19-45(67)27-47)54-34-72-36-57-60(54)80-64(78-57)62-52-26-40(44-24-50(32-70-30-44)76-66(88)38-9-10-38)12-14-58(52)86(83-62)85(3)18-16-74-48-22-42(20-46(68)28-48)53-33-71-35-56-59(53)79-63(77-56)61-51-25-39(11-13-55(51)81-82-61)43-23-49(31-69-29-43)75-65(87)37-7-5-4-6-8-37/h11-14,19-38,73-74H,4-10,15-18H2,1-3H3,(H,75,87)(H,76,88)(H,77,79)(H,78,80)(H,81,82).
What are the key properties of N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 1177.34 g/mol, XLogP of 12.05, 19 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 136619711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).