3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole

C23H17N7 — CID 137114046

IUPAC3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole
SMILESCc1cn(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)cc23)cn1
InChIInChI=1S/C23H17N7/c1-14-12-30(13-26-14)23-18-10-21(27-19(18)6-8-25-23)22-17-9-15(4-5-20(17)28-29-22)16-3-2-7-24-11-16/h2-13,27H,1H3,(H,28,29)
InChIKeyHKGNRYPBSVQBNY-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.66
Rot. Bonds3

About 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole

3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole (PubChem CID 137114046) has the molecular formula C23H17N7 and a molecular weight of 391.44 g/mol. Its IUPAC name is 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole.

Molecular Properties

Compound Name3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole
PubChem CID137114046
Molecular FormulaC23H17N7
Molecular Weight391.44 g/mol
Exact Mass391.15
IUPAC Name3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole
SMILESCc1cn(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)cc23)cn1
InChIInChI=1S/C23H17N7/c1-14-12-30(13-26-14)23-18-10-21(27-19(18)6-8-25-23)22-17-9-15(4-5-20(17)28-29-22)16-3-2-7-24-11-16/h2-13,27H,1H3,(H,28,29)
InChIKeyHKGNRYPBSVQBNY-UHFFFAOYSA-N
XLogP4.66
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(5-ethyl-3-pyridinyl)-1H-indazol-3-yl]-4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridine
CID 145252218
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,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
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
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-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
CID 137103319
3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole
CID 137114237
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-[5-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137114318
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-5-[3-(4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137087139
3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole
CID 137113789

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole?
The IUPAC name of 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole (CID 137114046) is 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole.
What is the SMILES notation for 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole?
The canonical SMILES for 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole is Cc1cn(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)cc23)cn1.
What is the InChIKey of 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole?
The InChIKey is HKGNRYPBSVQBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7/c1-14-12-30(13-26-14)23-18-10-21(27-19(18)6-8-25-23)22-17-9-15(4-5-20(17)28-29-22)16-3-2-7-24-11-16/h2-13,27H,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-pyridin-3-yl-1H-indazole?
3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-3-yl-1H-indazole has a molecular weight of 391.44 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 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-pyridin-3-yl-1H-indazole is sourced from PubChem (CID 137114046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).