2-methyl-N-[5-[3-[4-[4-methyl-3-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide

C53H53N15O — CID 137037544

IUPAC2-methyl-N-[5-[3-[4-[4-methyl-3-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
SMILESCc1ccncc1-c1cc(C2CN(c3cccc4[nH]c(-c5n[nH]c6ccc(-c7cncc(NC(=O)C(C)C)c7)cc56)nc34)CCN2C)c2n[nH]c(-c3nc4c(N5CCN(C)CC5)cccc4[nH]3)c2c1
InChIInChI=1S/C53H53N15O/c1-30(2)53(69)56-35-22-34(26-55-27-35)32-12-13-40-36(23-32)47(63-61-40)51-57-42-9-7-11-44(50(42)60-51)68-21-18-66(5)45(29-68)37-24-33(39-28-54-15-14-31(39)3)25-38-46(37)62-64-48(38)52-58-41-8-6-10-43(49(41)59-52)67-19-16-65(4)17-20-67/h6-15,22-28,30,45H,16-21,29H2,1-5H3,(H,56,69)(H,57,60)(H,58,59)(H,61,63)(H,62,64)
InChIKeyLJENKAXZVORCAP-UHFFFAOYSA-N
MW916.11 g/mol
LogP8.80
Rot. Bonds9

About 2-methyl-N-[5-[3-[4-[4-methyl-3-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide

2-methyl-N-[5-[3-[4-[4-methyl-3-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide (PubChem CID 137037544) has the molecular formula C53H53N15O and a molecular weight of 916.11 g/mol. Its IUPAC name is 2-methyl-N-[5-[3-[4-[4-methyl-3-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-[3-[4-[4-methyl-3-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
PubChem CID137037544
Molecular FormulaC53H53N15O
Molecular Weight916.11 g/mol
Exact Mass915.46
IUPAC Name2-methyl-N-[5-[3-[4-[4-methyl-3-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
SMILESCc1ccncc1-c1cc(C2CN(c3cccc4[nH]c(-c5n[nH]c6ccc(-c7cncc(NC(=O)C(C)C)c7)cc56)nc34)CCN2C)c2n[nH]c(-c3nc4c(N5CCN(C)CC5)cccc4[nH]3)c2c1
InChIInChI=1S/C53H53N15O/c1-30(2)53(69)56-35-22-34(26-55-27-35)32-12-13-40-36(23-32)47(63-61-40)51-57-42-9-7-11-44(50(42)60-51)68-21-18-66(5)45(29-68)37-24-33(39-28-54-15-14-31(39)3)25-38-46(37)62-64-48(38)52-58-41-8-6-10-43(49(41)59-52)67-19-16-65(4)17-20-67/h6-15,22-28,30,45H,16-21,29H2,1-5H3,(H,56,69)(H,57,60)(H,58,59)(H,61,63)(H,62,64)
InChIKeyLJENKAXZVORCAP-UHFFFAOYSA-N
XLogP8.80
TPSA182.56 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500916.11
LogP ≤ 58.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 2-methyl-N-[5-[3-[4-[4-methyl-3-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide with MolForge

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Related Compounds

Lorecivivint
CID 135565709
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-3-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11238677
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(2-phenylethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11456201
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11478841
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11478962
N-[1-(1-benzylimidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 57794685
N-[1-(5-methyl-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11375696
N-(1-(1H-Imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxamide
CID 11409395
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11456078
2-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethyl-5-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)aniline
CID 49836646
3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 135497824
8-[6-(1-methylindazol-5-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 156409242

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[3-[4-[4-methyl-3-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?
The IUPAC name of 2-methyl-N-[5-[3-[4-[4-methyl-3-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide (CID 137037544) is 2-methyl-N-[5-[3-[4-[4-methyl-3-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-[3-[4-[4-methyl-3-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?
The canonical SMILES for 2-methyl-N-[5-[3-[4-[4-methyl-3-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide is Cc1ccncc1-c1cc(C2CN(c3cccc4[nH]c(-c5n[nH]c6ccc(-c7cncc(NC(=O)C(C)C)c7)cc56)nc34)CCN2C)c2n[nH]c(-c3nc4c(N5CCN(C)CC5)cccc4[nH]3)c2c1.
What is the InChIKey of 2-methyl-N-[5-[3-[4-[4-methyl-3-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?
The InChIKey is LJENKAXZVORCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H53N15O/c1-30(2)53(69)56-35-22-34(26-55-27-35)32-12-13-40-36(23-32)47(63-61-40)51-57-42-9-7-11-44(50(42)60-51)68-21-18-66(5)45(29-68)37-24-33(39-28-54-15-14-31(39)3)25-38-46(37)62-64-48(38)52-58-41-8-6-10-43(49(41)59-52)67-19-16-65(4)17-20-67/h6-15,22-28,30,45H,16-21,29H2,1-5H3,(H,56,69)(H,57,60)(H,58,59)(H,61,63)(H,62,64).
What are the key properties of 2-methyl-N-[5-[3-[4-[4-methyl-3-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?
2-methyl-N-[5-[3-[4-[4-methyl-3-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide has a molecular weight of 916.11 g/mol, XLogP of 8.80, 9 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[3-[4-[4-methyl-3-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137037544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).