2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine

C54H49N15 — CID 145036865

IUPAC2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
SMILESCC.Cn1cc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccncc6)c5[nH]4)c3c2)cn1.c1cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CC7CCCCC7)c6)cc45)[nH]c23)ccn1
InChIInChI=1S/C30H27N7.C22H16N8.C2H6/c1-2-4-19(5-3-1)14-20-15-23(18-32-17-20)22-6-7-26-25(16-22)28(37-36-26)30-34-27-24(10-13-33-29(27)35-30)21-8-11-31-12-9-21;1-30-12-15(11-25-30)14-2-3-18-17(10-14)20(29-28-18)22-26-19-16(6-9-24-21(19)27-22)13-4-7-23-8-5-13;1-2/h6-13,15-19H,1-5,14H2,(H,36,37)(H,33,34,35);2-12H,1H3,(H,28,29)(H,24,26,27);1-2H3
InChIKeyVMOKIZXZDAWAGW-UHFFFAOYSA-N
MW908.09 g/mol
LogP11.74
Rot. Bonds8

About 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine

2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 145036865) has the molecular formula C54H49N15 and a molecular weight of 908.09 g/mol. Its IUPAC name is 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
PubChem CID145036865
Molecular FormulaC54H49N15
Molecular Weight908.09 g/mol
Exact Mass907.43
IUPAC Name2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
SMILESCC.Cn1cc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccncc6)c5[nH]4)c3c2)cn1.c1cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CC7CCCCC7)c6)cc45)[nH]c23)ccn1
InChIInChI=1S/C30H27N7.C22H16N8.C2H6/c1-2-4-19(5-3-1)14-20-15-23(18-32-17-20)22-6-7-26-25(16-22)28(37-36-26)30-34-27-24(10-13-33-29(27)35-30)21-8-11-31-12-9-21;1-30-12-15(11-25-30)14-2-3-18-17(10-14)20(29-28-18)22-26-19-16(6-9-24-21(19)27-22)13-4-7-23-8-5-13;1-2/h6-13,15-19H,1-5,14H2,(H,36,37)(H,33,34,35);2-12H,1H3,(H,28,29)(H,24,26,27);1-2H3
InChIKeyVMOKIZXZDAWAGW-UHFFFAOYSA-N
XLogP11.74
TPSA196.99 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500908.09
LogP ≤ 511.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine with MolForge

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Related Compounds

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-(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
7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
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
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836539
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836748
7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836749
3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-7-(2,3,5,6-tetrafluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)pyrazolo[1,5-a]pyrimidine
CID 49836854
3-(7-fluoro-1H-indazol-4-yl)-7-(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 49836857
3-(7-fluoro-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-ylpyrazolo[1,5-a]pyrimidine
CID 49836964

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine (CID 145036865) is 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine is CC.Cn1cc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccncc6)c5[nH]4)c3c2)cn1.c1cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CC7CCCCC7)c6)cc45)[nH]c23)ccn1.
What is the InChIKey of 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is VMOKIZXZDAWAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N7.C22H16N8.C2H6/c1-2-4-19(5-3-1)14-20-15-23(18-32-17-20)22-6-7-26-25(16-22)28(37-36-26)30-34-27-24(10-13-33-29(27)35-30)21-8-11-31-12-9-21;1-30-12-15(11-25-30)14-2-3-18-17(10-14)20(29-28-18)22-26-19-16(6-9-24-21(19)27-22)13-4-7-23-8-5-13;1-2/h6-13,15-19H,1-5,14H2,(H,36,37)(H,33,34,35);2-12H,1H3,(H,28,29)(H,24,26,27);1-2H3.
What are the key properties of 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine?
2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 908.09 g/mol, XLogP of 11.74, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 145036865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).