[1-methyl-4-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol

C21H18N10O — CID 137110413

IUPAC[1-methyl-4-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol
SMILESCc1cn(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cn(C)nc6CO)nc45)nc23)cn1
InChIInChI=1S/C21H18N10O/c1-11-7-31(10-23-11)17-6-22-5-15-18(17)26-21(25-15)20-19-14(27-28-20)4-3-13(24-19)12-8-30(2)29-16(12)9-32/h3-8,10,32H,9H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyXKKZCVKBFNXRJD-UHFFFAOYSA-N
MW426.44 g/mol
LogP2.28
Rot. Bonds4

About [1-methyl-4-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol

[1-methyl-4-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol (PubChem CID 137110413) has the molecular formula C21H18N10O and a molecular weight of 426.44 g/mol. Its IUPAC name is [1-methyl-4-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-methyl-4-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol
PubChem CID137110413
Molecular FormulaC21H18N10O
Molecular Weight426.44 g/mol
Exact Mass426.17
IUPAC Name[1-methyl-4-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol
SMILESCc1cn(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cn(C)nc6CO)nc45)nc23)cn1
InChIInChI=1S/C21H18N10O/c1-11-7-31(10-23-11)17-6-22-5-15-18(17)26-21(25-15)20-19-14(27-28-20)4-3-13(24-19)12-8-30(2)29-16(12)9-32/h3-8,10,32H,9H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyXKKZCVKBFNXRJD-UHFFFAOYSA-N
XLogP2.28
TPSA139.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [1-methyl-4-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol with MolForge

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Related Compounds

5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137311976
[1-methyl-4-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol
CID 137312429
3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109942
N-(3-methylbut-1-en-2-yl)-5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 145249240
3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 139424388
5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine
CID 145249053
N-hex-1-en-2-yl-5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 145248773
[4-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
CID 137312194
2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
CID 145248708
[4-[3-[4-(5-chlorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
CID 137109517
5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137109080
[4-[3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
CID 137109575

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol?
The IUPAC name of [1-methyl-4-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol (CID 137110413) is [1-methyl-4-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol.
What is the SMILES notation for [1-methyl-4-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol?
The canonical SMILES for [1-methyl-4-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol is Cc1cn(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cn(C)nc6CO)nc45)nc23)cn1.
What is the InChIKey of [1-methyl-4-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol?
The InChIKey is XKKZCVKBFNXRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N10O/c1-11-7-31(10-23-11)17-6-22-5-15-18(17)26-21(25-15)20-19-14(27-28-20)4-3-13(24-19)12-8-30(2)29-16(12)9-32/h3-8,10,32H,9H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of [1-methyl-4-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol?
[1-methyl-4-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol has a molecular weight of 426.44 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol is sourced from PubChem (CID 137110413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).