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

C48H46N16O — CID 137099120

IUPACN,N-dimethyl-1-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]methanamine
SMILESCN(C)Cc1cncc(-c2cc(C3CN(c4cncc5[nH]c(-c6n[nH]c7ccc(-c8cccnc8)cc67)nc45)CCO3)c3n[nH]c(-c4nc5c(N6CCN(C)CC6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C48H46N16O/c1-61(2)26-28-15-32(21-50-19-28)31-17-34(42-35(18-31)44(60-58-42)48-54-37-22-51-24-39(45(37)55-48)63-11-9-62(3)10-12-63)41-27-64(13-14-65-41)40-25-52-23-38-46(40)56-47(53-38)43-33-16-29(6-7-36(33)57-59-43)30-5-4-8-49-20-30/h4-8,15-25,41H,9-14,26-27H2,1-3H3,(H,53,56)(H,54,55)(H,57,59)(H,58,60)
InChIKeyMUXTWXYEIIJLSX-UHFFFAOYSA-N
MW863.01 g/mol
LogP6.83
Rot. Bonds9

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

N,N-dimethyl-1-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]methanamine (PubChem CID 137099120) has the molecular formula C48H46N16O and a molecular weight of 863.01 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]methanamine
PubChem CID137099120
Molecular FormulaC48H46N16O
Molecular Weight863.01 g/mol
Exact Mass862.40
IUPAC NameN,N-dimethyl-1-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]methanamine
SMILESCN(C)Cc1cncc(-c2cc(C3CN(c4cncc5[nH]c(-c6n[nH]c7ccc(-c8cccnc8)cc67)nc45)CCO3)c3n[nH]c(-c4nc5c(N6CCN(C)CC6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C48H46N16O/c1-61(2)26-28-15-32(21-50-19-28)31-17-34(42-35(18-31)44(60-58-42)48-54-37-22-51-24-39(45(37)55-48)63-11-9-62(3)10-12-63)41-27-64(13-14-65-41)40-25-52-23-38-46(40)56-47(53-38)43-33-16-29(6-7-36(33)57-59-43)30-5-4-8-49-20-30/h4-8,15-25,41H,9-14,26-27H2,1-3H3,(H,53,56)(H,54,55)(H,57,59)(H,58,60)
InChIKeyMUXTWXYEIIJLSX-UHFFFAOYSA-N
XLogP6.83
TPSA188.47 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500863.01
LogP ≤ 56.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

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

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Launch Full Analysis

Related Compounds

4-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]morpholine
CID 136273082
4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine
CID 136643035
4-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]morpholine
CID 135497790
N-[[4-methyl-5-[3-[6-(propan-2-yloxymethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136086932
(1R,4R)-5-[3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 172442199
(1S,4S)-5-[3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 172460529
US10071079, Example 470
CID 132272337
US10544143, Example 664
CID 138686653
2-[(2-fluoro-2-methylpropoxy)-(4-fluorophenyl)methyl]-N-[1-[[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]methyl]-5-methylpyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 70927368
8-(4-fluoro-2-methylphenyl)-2-[5-(1-methylpyrazol-4-yl)-1H-indol-2-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 90174625
N-[3-fluoro-5-[2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 136937024
N-[3-fluoro-5-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 136937025

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]methanamine (CID 137099120) is N,N-dimethyl-1-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]methanamine is CN(C)Cc1cncc(-c2cc(C3CN(c4cncc5[nH]c(-c6n[nH]c7ccc(-c8cccnc8)cc67)nc45)CCO3)c3n[nH]c(-c4nc5c(N6CCN(C)CC6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of N,N-dimethyl-1-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]methanamine?
The InChIKey is MUXTWXYEIIJLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46N16O/c1-61(2)26-28-15-32(21-50-19-28)31-17-34(42-35(18-31)44(60-58-42)48-54-37-22-51-24-39(45(37)55-48)63-11-9-62(3)10-12-63)41-27-64(13-14-65-41)40-25-52-23-38-46(40)56-47(53-38)43-33-16-29(6-7-36(33)57-59-43)30-5-4-8-49-20-30/h4-8,15-25,41H,9-14,26-27H2,1-3H3,(H,53,56)(H,54,55)(H,57,59)(H,58,60).
What are the key properties of N,N-dimethyl-1-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]methanamine?
N,N-dimethyl-1-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]methanamine has a molecular weight of 863.01 g/mol, XLogP of 6.83, 9 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 137099120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).