N-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide

C61H45F2N15O — CID 145252871

IUPACN-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
SMILESCC1=CC=C(c2ccc(F)c(-c3cc(-c4cncc(NC(=O)c5ccccc5)c4)nc4c(-c5nc6c(-c7ccc(F)cc7)ccnc6[nH]5)n[nH]c34)c2)c2nc(-c3n[nH]c4ccc(-c5cncc(CN6CCCC6)c5)nc34)[nH]c2C1
InChIInChI=1S/C61H45F2N15O/c1-33-9-15-42(51-50(23-33)70-59(71-51)56-54-48(74-76-56)18-17-47(68-54)38-24-34(28-64-29-38)32-78-21-5-6-22-78)37-12-16-46(63)44(26-37)45-27-49(39-25-41(31-65-30-39)67-61(79)36-7-3-2-4-8-36)69-55-52(45)75-77-57(55)60-72-53-43(19-20-66-58(53)73-60)35-10-13-40(62)14-11-35/h2-4,7-20,24-31H,5-6,21-23,32H2,1H3,(H,67,79)(H,70,71)(H,74,76)(H,75,77)(H,66,72,73)
InChIKeyGLZTVWWXMFFZBN-UHFFFAOYSA-N
MW1042.13 g/mol
LogP12.08
Rot. Bonds11

About N-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide

N-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide (PubChem CID 145252871) has the molecular formula C61H45F2N15O and a molecular weight of 1042.13 g/mol. Its IUPAC name is N-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
PubChem CID145252871
Molecular FormulaC61H45F2N15O
Molecular Weight1042.13 g/mol
Exact Mass1041.39
IUPAC NameN-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
SMILESCC1=CC=C(c2ccc(F)c(-c3cc(-c4cncc(NC(=O)c5ccccc5)c4)nc4c(-c5nc6c(-c7ccc(F)cc7)ccnc6[nH]5)n[nH]c34)c2)c2nc(-c3n[nH]c4ccc(-c5cncc(CN6CCCC6)c5)nc34)[nH]c2C1
InChIInChI=1S/C61H45F2N15O/c1-33-9-15-42(51-50(23-33)70-59(71-51)56-54-48(74-76-56)18-17-47(68-54)38-24-34(28-64-29-38)32-78-21-5-6-22-78)37-12-16-46(63)44(26-37)45-27-49(39-25-41(31-65-30-39)67-61(79)36-7-3-2-4-8-36)69-55-52(45)75-77-57(55)60-72-53-43(19-20-66-58(53)73-60)35-10-13-40(62)14-11-35/h2-4,7-20,24-31H,5-6,21-23,32H2,1H3,(H,67,79)(H,70,71)(H,74,76)(H,75,77)(H,66,72,73)
InChIKeyGLZTVWWXMFFZBN-UHFFFAOYSA-N
XLogP12.08
TPSA211.51 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001042.13
LogP ≤ 512.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze N-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[3-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide
CID 118537213
N-(6-(1-(1-((1H-pyrazol-3-yl)methyl)piperidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 118538627
N-(3-(2-(2-(3-(1H-imidazol-2-yl)propylamino)pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46883722
N-(2,6-difluorophenyl)-3-[3-(2-{[3-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452676
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118537119
N-(6-(2-(4-fluorophenyl) imidazo[1,2-a]pyridin-3-yl) imidazo[1,2-b]pyridazin-2-yl)-3-(pyrimidin-5-yl)benzamide
CID 118538658
N-(6-(1,4-bis(4-Fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-3-(pyridin-3-yl)benzamide
CID 118538701
N-(6-(4-(4-Fluorophenyl)-1-(pyridin-3-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-3-(pyridin-3-yl)benzamide
CID 118538928
N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 135987311
N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136213712
N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136643028
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137033859

Frequently Asked Questions

What is the IUPAC name of N-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide (CID 145252871) is N-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide is CC1=CC=C(c2ccc(F)c(-c3cc(-c4cncc(NC(=O)c5ccccc5)c4)nc4c(-c5nc6c(-c7ccc(F)cc7)ccnc6[nH]5)n[nH]c34)c2)c2nc(-c3n[nH]c4ccc(-c5cncc(CN6CCCC6)c5)nc34)[nH]c2C1.
What is the InChIKey of N-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide?
The InChIKey is GLZTVWWXMFFZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45F2N15O/c1-33-9-15-42(51-50(23-33)70-59(71-51)56-54-48(74-76-56)18-17-47(68-54)38-24-34(28-64-29-38)32-78-21-5-6-22-78)37-12-16-46(63)44(26-37)45-27-49(39-25-41(31-65-30-39)67-61(79)36-7-3-2-4-8-36)69-55-52(45)75-77-57(55)60-72-53-43(19-20-66-58(53)73-60)35-10-13-40(62)14-11-35/h2-4,7-20,24-31H,5-6,21-23,32H2,1H3,(H,67,79)(H,70,71)(H,74,76)(H,75,77)(H,66,72,73).
What are the key properties of N-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide?
N-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide has a molecular weight of 1042.13 g/mol, XLogP of 12.08, 11 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 145252871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).