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

C23H23N7 — CID 137113789

IUPAC3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole
SMILESCc1cn(-c2nccc3[nH]c(-c4n[nH]c5ccc(C6CCNCC6)cc45)cc23)cn1
InChIInChI=1S/C23H23N7/c1-14-12-30(13-26-14)23-18-11-21(27-19(18)6-9-25-23)22-17-10-16(2-3-20(17)28-29-22)15-4-7-24-8-5-15/h2-3,6,9-13,15,24,27H,4-5,7-8H2,1H3,(H,28,29)
InChIKeyXMGNGHUPHDDPOP-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.07
Rot. Bonds3

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

3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole (PubChem CID 137113789) has the molecular formula C23H23N7 and a molecular weight of 397.49 g/mol. Its IUPAC name is 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole.

Molecular Properties

Compound Name3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole
PubChem CID137113789
Molecular FormulaC23H23N7
Molecular Weight397.49 g/mol
Exact Mass397.20
IUPAC Name3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole
SMILESCc1cn(-c2nccc3[nH]c(-c4n[nH]c5ccc(C6CCNCC6)cc45)cc23)cn1
InChIInChI=1S/C23H23N7/c1-14-12-30(13-26-14)23-18-11-21(27-19(18)6-9-25-23)22-17-10-16(2-3-20(17)28-29-22)15-4-7-24-8-5-15/h2-3,6,9-13,15,24,27H,4-5,7-8H2,1H3,(H,28,29)
InChIKeyXMGNGHUPHDDPOP-UHFFFAOYSA-N
XLogP4.07
TPSA87.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole
CID 137114193
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
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
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
(Z)-N-ethenyl-2-[3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]but-2-en-1-imine
CID 145252382
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
3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-phenylmethoxy-1-azabicyclo[4.1.0]hepta-2,4-dien-3-yl)-1H-indazole
CID 145252312
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-(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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole?
The IUPAC name of 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole (CID 137113789) is 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole.
What is the SMILES notation for 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole?
The canonical SMILES for 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole is Cc1cn(-c2nccc3[nH]c(-c4n[nH]c5ccc(C6CCNCC6)cc45)cc23)cn1.
What is the InChIKey of 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole?
The InChIKey is XMGNGHUPHDDPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7/c1-14-12-30(13-26-14)23-18-11-21(27-19(18)6-9-25-23)22-17-10-16(2-3-20(17)28-29-22)15-4-7-24-8-5-15/h2-3,6,9-13,15,24,27H,4-5,7-8H2,1H3,(H,28,29).
What are the key properties of 3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole?
3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole has a molecular weight of 397.49 g/mol, XLogP of 4.07, 3 rotatable bonds, 3 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-piperidin-4-yl-1H-indazole is sourced from PubChem (CID 137113789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).