4-[4-[[5-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-2-pyridinyl]isoquinoline

C26H25N7 — CID 90863379

IUPAC4-[4-[[5-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-2-pyridinyl]isoquinoline
SMILESc1ccc2c(-c3cc(Cc4nc5nc(N6CCCNCC6)ccc5[nH]4)ccn3)cncc2c1
InChIInChI=1S/C26H25N7/c1-2-5-20-19(4-1)16-28-17-21(20)23-14-18(8-10-29-23)15-24-30-22-6-7-25(32-26(22)31-24)33-12-3-9-27-11-13-33/h1-2,4-8,10,14,16-17,27H,3,9,11-13,15H2,(H,30,31,32)
InChIKeyMAUHJDFADNCCPM-UHFFFAOYSA-N
MW435.54 g/mol
LogP3.96
Rot. Bonds4

About 4-[4-[[5-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-2-pyridinyl]isoquinoline

4-[4-[[5-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-2-pyridinyl]isoquinoline (PubChem CID 90863379) has the molecular formula C26H25N7 and a molecular weight of 435.54 g/mol. Its IUPAC name is 4-[4-[[5-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-2-pyridinyl]isoquinoline.

Molecular Properties

Compound Name4-[4-[[5-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-2-pyridinyl]isoquinoline
PubChem CID90863379
Molecular FormulaC26H25N7
Molecular Weight435.54 g/mol
Exact Mass435.22
IUPAC Name4-[4-[[5-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-2-pyridinyl]isoquinoline
SMILESc1ccc2c(-c3cc(Cc4nc5nc(N6CCCNCC6)ccc5[nH]4)ccn3)cncc2c1
InChIInChI=1S/C26H25N7/c1-2-5-20-19(4-1)16-28-17-21(20)23-14-18(8-10-29-23)15-24-30-22-6-7-25(32-26(22)31-24)33-12-3-9-27-11-13-33/h1-2,4-8,10,14,16-17,27H,3,9,11-13,15H2,(H,30,31,32)
InChIKeyMAUHJDFADNCCPM-UHFFFAOYSA-N
XLogP3.96
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-[[5-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-2-pyridinyl]isoquinoline with MolForge

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Related Compounds

[5-[(3S)-3-aminopyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-(2-isoquinolin-4-yl-4-pyridinyl)methanone
CID 67293112
2-[2-(1,4-diazepan-1-yl)pyrimidin-4-yl]phenol
CID 136967152
3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-ethynyl-2H-pyrazolo[3,4-b]pyridine
CID 44621872
2-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridine
CID 71637411
2-(naphthalen-1-ylmethoxy)-6-piperazin-1-ylpyrazine
CID 10267995
4-(1,4-diazepan-1-yl)quinoline
CID 61339543
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-piperazin-1-ylpyrimidin-2-amine
CID 166312968
3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-ethynyl-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen
CID 161394616
1-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepane;hydrochloride
CID 154883656
5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine
CID 115371975
1-(1,4-diazepan-1-yl)-7-methylisoquinoline
CID 82570872
4-(1,4-diazepan-1-yl)-N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]pyrimidin-2-amine
CID 166302178

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[5-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-2-pyridinyl]isoquinoline?
The IUPAC name of 4-[4-[[5-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-2-pyridinyl]isoquinoline (CID 90863379) is 4-[4-[[5-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-2-pyridinyl]isoquinoline.
What is the SMILES notation for 4-[4-[[5-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-2-pyridinyl]isoquinoline?
The canonical SMILES for 4-[4-[[5-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-2-pyridinyl]isoquinoline is c1ccc2c(-c3cc(Cc4nc5nc(N6CCCNCC6)ccc5[nH]4)ccn3)cncc2c1.
What is the InChIKey of 4-[4-[[5-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-2-pyridinyl]isoquinoline?
The InChIKey is MAUHJDFADNCCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7/c1-2-5-20-19(4-1)16-28-17-21(20)23-14-18(8-10-29-23)15-24-30-22-6-7-25(32-26(22)31-24)33-12-3-9-27-11-13-33/h1-2,4-8,10,14,16-17,27H,3,9,11-13,15H2,(H,30,31,32).
What are the key properties of 4-[4-[[5-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-2-pyridinyl]isoquinoline?
4-[4-[[5-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-2-pyridinyl]isoquinoline has a molecular weight of 435.54 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[5-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-2-pyridinyl]isoquinoline is sourced from PubChem (CID 90863379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).