3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine

C21H15N9 — CID 137103319

IUPAC3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
SMILESCc1cn(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)nc45)cc23)cn1
InChIInChI=1S/C21H15N9/c1-12-9-30(11-25-12)21-14-6-18(26-16(14)4-5-24-21)20-19-17(28-29-20)3-2-15(27-19)13-7-22-10-23-8-13/h2-11,26H,1H3,(H,28,29)
InChIKeyBDHLWDYLKNXYLE-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.45
Rot. Bonds3

About 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine

3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137103319) has the molecular formula C21H15N9 and a molecular weight of 393.41 g/mol. Its IUPAC name is 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
PubChem CID137103319
Molecular FormulaC21H15N9
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Name3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
SMILESCc1cn(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)nc45)cc23)cn1
InChIInChI=1S/C21H15N9/c1-12-9-30(11-25-12)21-14-6-18(26-16(14)4-5-24-21)20-19-17(28-29-20)3-2-15(27-19)13-7-22-10-23-8-13/h2-11,26H,1H3,(H,28,29)
InChIKeyBDHLWDYLKNXYLE-UHFFFAOYSA-N
XLogP3.45
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137039773
N,N-dimethyl-1-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 137103221
3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole
CID 137114046
2-[5-(5-ethyl-3-pyridinyl)-1H-indazol-3-yl]-4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridine
CID 145252218
5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137489065
3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137110801
N-(3-methylbut-1-en-2-yl)-5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 145252394
3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine
CID 137114763
N,N-dimethyl-2-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137114234
3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137312980
N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137312739
3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine
CID 137110908

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine (CID 137103319) is 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine is Cc1cn(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)nc45)cc23)cn1.
What is the InChIKey of 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is BDHLWDYLKNXYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N9/c1-12-9-30(11-25-12)21-14-6-18(26-16(14)4-5-24-21)20-19-17(28-29-20)3-2-15(27-19)13-7-22-10-23-8-13/h2-11,26H,1H3,(H,28,29).
What are the key properties of 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine?
3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 393.41 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137103319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).