3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

C27H26N10 — CID 137055576

IUPAC3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCc1cn(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(CN7CCCCC7)c6)cc45)[nH]c23)cn1
InChIInChI=1S/C27H26N10/c1-17-14-37(16-31-17)23-5-6-29-26-25(23)32-27(33-26)24-20-10-21(30-13-22(20)34-35-24)19-9-18(11-28-12-19)15-36-7-3-2-4-8-36/h5-6,9-14,16H,2-4,7-8,15H2,1H3,(H,34,35)(H,29,32,33)
InChIKeyBKKSTXDDOGPWME-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.44
Rot. Bonds5

About 3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137055576) has the molecular formula C27H26N10 and a molecular weight of 490.58 g/mol. Its IUPAC name is 3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID137055576
Molecular FormulaC27H26N10
Molecular Weight490.58 g/mol
Exact Mass490.23
IUPAC Name3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCc1cn(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(CN7CCCCC7)c6)cc45)[nH]c23)cn1
InChIInChI=1S/C27H26N10/c1-17-14-37(16-31-17)23-5-6-29-26-25(23)32-27(33-26)24-20-10-21(30-13-22(20)34-35-24)19-9-18(11-28-12-19)15-36-7-3-2-4-8-36/h5-6,9-14,16H,2-4,7-8,15H2,1H3,(H,34,35)(H,29,32,33)
InChIKeyBKKSTXDDOGPWME-UHFFFAOYSA-N
XLogP4.44
TPSA117.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine with MolForge

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Related Compounds

N-[[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137055584
3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 136937450
N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137055581
2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine
CID 137134419
3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol
CID 137174364
5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
CID 145034911
7-(4-methylimidazol-1-yl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
CID 136643330
N-[[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137134019
3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137109702
1-[6-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137102315
3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137088296
3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137102287

Frequently Asked Questions

What is the IUPAC name of 3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (CID 137055576) is 3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is Cc1cn(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(CN7CCCCC7)c6)cc45)[nH]c23)cn1.
What is the InChIKey of 3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is BKKSTXDDOGPWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N10/c1-17-14-37(16-31-17)23-5-6-29-26-25(23)32-27(33-26)24-20-10-21(30-13-22(20)34-35-24)19-9-18(11-28-12-19)15-36-7-3-2-4-8-36/h5-6,9-14,16H,2-4,7-8,15H2,1H3,(H,34,35)(H,29,32,33).
What are the key properties of 3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 490.58 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137055576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).