2,2-dimethyl-N-[5-[3-[7-[4-methyl-3-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide

C52H53N17O — CID 137035066

IUPAC2,2-dimethyl-N-[5-[3-[7-[4-methyl-3-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
SMILESCc1ccncc1-c1cc(C2CN(c3cncc4[nH]c(-c5n[nH]c6ccc(-c7cncc(NC(=O)C(C)(C)C)c7)cc56)nc34)CCN2C)c2n[nH]c(-c3nc4c(N5CCN(C)CC5)cncc4[nH]3)c2c1
InChIInChI=1S/C52H53N17O/c1-29-9-10-53-23-37(29)31-19-35(44-36(20-31)46(65-63-44)50-59-39-24-55-26-41(47(39)60-50)68-14-11-66(5)12-15-68)43-28-69(16-13-67(43)6)42-27-56-25-40-48(42)61-49(58-40)45-34-18-30(7-8-38(34)62-64-45)32-17-33(22-54-21-32)57-51(70)52(2,3)4/h7-10,17-27,43H,11-16,28H2,1-6H3,(H,57,70)(H,58,61)(H,59,60)(H,62,64)(H,63,65)
InChIKeyOAPUFEXVCYBEGQ-UHFFFAOYSA-N
MW932.11 g/mol
LogP7.98
Rot. Bonds8

About 2,2-dimethyl-N-[5-[3-[7-[4-methyl-3-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide

2,2-dimethyl-N-[5-[3-[7-[4-methyl-3-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide (PubChem CID 137035066) has the molecular formula C52H53N17O and a molecular weight of 932.11 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-[3-[7-[4-methyl-3-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-[3-[7-[4-methyl-3-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
PubChem CID137035066
Molecular FormulaC52H53N17O
Molecular Weight932.11 g/mol
Exact Mass931.46
IUPAC Name2,2-dimethyl-N-[5-[3-[7-[4-methyl-3-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
SMILESCc1ccncc1-c1cc(C2CN(c3cncc4[nH]c(-c5n[nH]c6ccc(-c7cncc(NC(=O)C(C)(C)C)c7)cc56)nc34)CCN2C)c2n[nH]c(-c3nc4c(N5CCN(C)CC5)cncc4[nH]3)c2c1
InChIInChI=1S/C52H53N17O/c1-29-9-10-53-23-37(29)31-19-35(44-36(20-31)46(65-63-44)50-59-39-24-55-26-41(47(39)60-50)68-14-11-66(5)12-15-68)43-28-69(16-13-67(43)6)42-27-56-25-40-48(42)61-49(58-40)45-34-18-30(7-8-38(34)62-64-45)32-17-33(22-54-21-32)57-51(70)52(2,3)4/h7-10,17-27,43H,11-16,28H2,1-6H3,(H,57,70)(H,58,61)(H,59,60)(H,62,64)(H,63,65)
InChIKeyOAPUFEXVCYBEGQ-UHFFFAOYSA-N
XLogP7.98
TPSA208.34 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500932.11
LogP ≤ 57.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 2,2-dimethyl-N-[5-[3-[7-[4-methyl-3-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide with MolForge

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Related Compounds

Lorecivivint
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Sch772984
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N-[1-[1-[(4-tert-butylphenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11204498
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-[1-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11250445
N-[1-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11250446
N-(1-(1-((2-Chloro-6-methylpyridin-4-yl)methyl)-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 11422298
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
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-[3-[7-[4-methyl-3-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[5-[3-[7-[4-methyl-3-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide (CID 137035066) is 2,2-dimethyl-N-[5-[3-[7-[4-methyl-3-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-[3-[7-[4-methyl-3-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[5-[3-[7-[4-methyl-3-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide is Cc1ccncc1-c1cc(C2CN(c3cncc4[nH]c(-c5n[nH]c6ccc(-c7cncc(NC(=O)C(C)(C)C)c7)cc56)nc34)CCN2C)c2n[nH]c(-c3nc4c(N5CCN(C)CC5)cncc4[nH]3)c2c1.
What is the InChIKey of 2,2-dimethyl-N-[5-[3-[7-[4-methyl-3-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?
The InChIKey is OAPUFEXVCYBEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H53N17O/c1-29-9-10-53-23-37(29)31-19-35(44-36(20-31)46(65-63-44)50-59-39-24-55-26-41(47(39)60-50)68-14-11-66(5)12-15-68)43-28-69(16-13-67(43)6)42-27-56-25-40-48(42)61-49(58-40)45-34-18-30(7-8-38(34)62-64-45)32-17-33(22-54-21-32)57-51(70)52(2,3)4/h7-10,17-27,43H,11-16,28H2,1-6H3,(H,57,70)(H,58,61)(H,59,60)(H,62,64)(H,63,65).
What are the key properties of 2,2-dimethyl-N-[5-[3-[7-[4-methyl-3-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?
2,2-dimethyl-N-[5-[3-[7-[4-methyl-3-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide has a molecular weight of 932.11 g/mol, XLogP of 7.98, 8 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-[3-[7-[4-methyl-3-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137035066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).