N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;2-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine

C125H108F2N36O4 — CID 157115673

IUPACN-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;2-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine
SMILESCC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5ccncc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)cncc5[nH]4)c3c2)c1.CN1CCN(c2cncc(-c3ccc4[nH]nc(-c5nc6ccncc6[nH]5)c4c3)c2)CC1.c1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCOCC6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/2C29H24FN7O.C23H22N8.2C22H19N7O/c1-16(2)8-26(38)33-21-10-19(12-31-13-21)17-6-7-24-22(11-17)28(37-36-24)29-34-25-15-32-14-23(27(25)35-29)18-4-3-5-20(30)9-18;1-16(2)9-26(38)33-19-10-18(12-31-13-19)17-7-8-24-21(11-17)28(37-36-24)29-34-25-15-32-14-22(27(25)35-29)20-5-3-4-6-23(20)30;1-30-6-8-31(9-7-30)17-10-16(12-25-13-17)15-2-3-19-18(11-15)22(29-28-19)23-26-20-4-5-24-14-21(20)27-23;1-2-15(11-23-5-1)14-3-4-17-16(10-14)20(28-27-17)22-25-18-12-24-13-19(21(18)26-22)29-6-8-30-9-7-29;1-12(2)22(30)25-15-7-14(9-24-10-15)13-3-4-17-16(8-13)20(29-28-17)21-26-18-5-6-23-11-19(18)27-21/h3-7,9-16H,8H2,1-2H3,(H,33,38)(H,34,35)(H,36,37);3-8,10-16H,9H2,1-2H3,(H,33,38)(H,34,35)(H,36,37);2-5,10-14H,6-9H2,1H3,(H,26,27)(H,28,29);1-5,10-13H,6-9H2,(H,25,26)(H,27,28);3-12H,1-2H3,(H,25,30)(H,26,27)(H,28,29)
InChIKeyAHJIRSAKXHTXJZ-UHFFFAOYSA-N
MW2216.48 g/mol
LogP23.58
Rot. Bonds22

About N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;2-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine

N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;2-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine (PubChem CID 157115673) has the molecular formula C125H108F2N36O4 and a molecular weight of 2216.48 g/mol. Its IUPAC name is N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;2-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine.

Molecular Properties

Compound NameN-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;2-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine
PubChem CID157115673
Molecular FormulaC125H108F2N36O4
Molecular Weight2216.48 g/mol
Exact Mass2214.93
IUPAC NameN-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;2-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine
SMILESCC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5ccncc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)cncc5[nH]4)c3c2)c1.CN1CCN(c2cncc(-c3ccc4[nH]nc(-c5nc6ccncc6[nH]5)c4c3)c2)CC1.c1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCOCC6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/2C29H24FN7O.C23H22N8.2C22H19N7O/c1-16(2)8-26(38)33-21-10-19(12-31-13-21)17-6-7-24-22(11-17)28(37-36-24)29-34-25-15-32-14-23(27(25)35-29)18-4-3-5-20(30)9-18;1-16(2)9-26(38)33-19-10-18(12-31-13-19)17-7-8-24-21(11-17)28(37-36-24)29-34-25-15-32-14-22(27(25)35-29)20-5-3-4-6-23(20)30;1-30-6-8-31(9-7-30)17-10-16(12-25-13-17)15-2-3-19-18(11-15)22(29-28-19)23-26-20-4-5-24-14-21(20)27-23;1-2-15(11-23-5-1)14-3-4-17-16(10-14)20(28-27-17)22-25-18-12-24-13-19(21(18)26-22)29-6-8-30-9-7-29;1-12(2)22(30)25-15-7-14(9-24-10-15)13-3-4-17-16(8-13)20(29-28-17)21-26-18-5-6-23-11-19(18)27-21/h3-7,9-16H,8H2,1-2H3,(H,33,38)(H,34,35)(H,36,37);3-8,10-16H,9H2,1-2H3,(H,33,38)(H,34,35)(H,36,37);2-5,10-14H,6-9H2,1H3,(H,26,27)(H,28,29);1-5,10-13H,6-9H2,(H,25,26)(H,27,28);3-12H,1-2H3,(H,25,30)(H,26,27)(H,28,29)
InChIKeyAHJIRSAKXHTXJZ-UHFFFAOYSA-N
XLogP23.58
TPSA521.95 Ų
H-Bond Donors13
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms167
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002216.48
LogP ≤ 523.58
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1027

Analyze N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;2-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;2-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine?
The IUPAC name of N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;2-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine (CID 157115673) is N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;2-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine.
What is the SMILES notation for N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;2-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine?
The canonical SMILES for N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;2-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine is CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5ccncc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6F)cncc5[nH]4)c3c2)c1.CN1CCN(c2cncc(-c3ccc4[nH]nc(-c5nc6ccncc6[nH]5)c4c3)c2)CC1.c1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCOCC6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;2-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine?
The InChIKey is AHJIRSAKXHTXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H24FN7O.C23H22N8.2C22H19N7O/c1-16(2)8-26(38)33-21-10-19(12-31-13-21)17-6-7-24-22(11-17)28(37-36-24)29-34-25-15-32-14-23(27(25)35-29)18-4-3-5-20(30)9-18;1-16(2)9-26(38)33-19-10-18(12-31-13-19)17-7-8-24-21(11-17)28(37-36-24)29-34-25-15-32-14-22(27(25)35-29)20-5-3-4-6-23(20)30;1-30-6-8-31(9-7-30)17-10-16(12-25-13-17)15-2-3-19-18(11-15)22(29-28-19)23-26-20-4-5-24-14-21(20)27-23;1-2-15(11-23-5-1)14-3-4-17-16(10-14)20(28-27-17)22-25-18-12-24-13-19(21(18)26-22)29-6-8-30-9-7-29;1-12(2)22(30)25-15-7-14(9-24-10-15)13-3-4-17-16(8-13)20(29-28-17)21-26-18-5-6-23-11-19(18)27-21/h3-7,9-16H,8H2,1-2H3,(H,33,38)(H,34,35)(H,36,37);3-8,10-16H,9H2,1-2H3,(H,33,38)(H,34,35)(H,36,37);2-5,10-14H,6-9H2,1H3,(H,26,27)(H,28,29);1-5,10-13H,6-9H2,(H,25,26)(H,27,28);3-12H,1-2H3,(H,25,30)(H,26,27)(H,28,29).
What are the key properties of N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;2-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine?
N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;2-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine has a molecular weight of 2216.48 g/mol, XLogP of 23.58, 22 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;2-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine is sourced from PubChem (CID 157115673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).