2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridine;ethane;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole

C50H45N13 — CID 145252510

IUPAC2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridine;ethane;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole
SMILESC1=C(c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)cncc5[nH]4)c3c2)CCNC1.CC.Cc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)cncc5[nH]4)c3c2)n1C
InChIInChI=1S/C24H19N7.C24H20N6.C2H6/c1-14-27-13-23(31(14)2)16-3-4-20-18(9-16)24(30-29-20)21-10-17-19(11-26-12-22(17)28-21)15-5-7-25-8-6-15;1-2-21-19(11-17(1)15-3-7-25-8-4-15)24(30-29-21)22-12-18-20(13-27-14-23(18)28-22)16-5-9-26-10-6-16;1-2/h3-13,28H,1-2H3,(H,29,30);1-3,5-6,9-14,25,28H,4,7-8H2,(H,29,30);1-2H3
InChIKeyKGGUNQQWBWQPTF-UHFFFAOYSA-N
MW828.00 g/mol
LogP10.45
Rot. Bonds6

About 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridine;ethane;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole

2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridine;ethane;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole (PubChem CID 145252510) has the molecular formula C50H45N13 and a molecular weight of 828.00 g/mol. Its IUPAC name is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridine;ethane;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole.

Molecular Properties

Compound Name2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridine;ethane;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole
PubChem CID145252510
Molecular FormulaC50H45N13
Molecular Weight828.00 g/mol
Exact Mass827.39
IUPAC Name2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridine;ethane;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole
SMILESC1=C(c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)cncc5[nH]4)c3c2)CCNC1.CC.Cc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)cncc5[nH]4)c3c2)n1C
InChIInChI=1S/C24H19N7.C24H20N6.C2H6/c1-14-27-13-23(31(14)2)16-3-4-20-18(9-16)24(30-29-20)21-10-17-19(11-26-12-22(17)28-21)15-5-7-25-8-6-15;1-2-21-19(11-17(1)15-3-7-25-8-4-15)24(30-29-21)22-12-18-20(13-27-14-23(18)28-22)16-5-9-26-10-6-16;1-2/h3-13,28H,1-2H3,(H,29,30);1-3,5-6,9-14,25,28H,4,7-8H2,(H,29,30);1-2H3
InChIKeyKGGUNQQWBWQPTF-UHFFFAOYSA-N
XLogP10.45
TPSA170.35 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.00
LogP ≤ 510.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridine;ethane;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridine;ethane;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole?
The IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridine;ethane;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole (CID 145252510) is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridine;ethane;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole.
What is the SMILES notation for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridine;ethane;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole?
The canonical SMILES for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridine;ethane;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole is C1=C(c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)cncc5[nH]4)c3c2)CCNC1.CC.Cc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)cncc5[nH]4)c3c2)n1C.
What is the InChIKey of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridine;ethane;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole?
The InChIKey is KGGUNQQWBWQPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7.C24H20N6.C2H6/c1-14-27-13-23(31(14)2)16-3-4-20-18(9-16)24(30-29-20)21-10-17-19(11-26-12-22(17)28-21)15-5-7-25-8-6-15;1-2-21-19(11-17(1)15-3-7-25-8-4-15)24(30-29-21)22-12-18-20(13-27-14-23(18)28-22)16-5-9-26-10-6-16;1-2/h3-13,28H,1-2H3,(H,29,30);1-3,5-6,9-14,25,28H,4,7-8H2,(H,29,30);1-2H3.
What are the key properties of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridine;ethane;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole?
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridine;ethane;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole has a molecular weight of 828.00 g/mol, XLogP of 10.45, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridine;ethane;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole is sourced from PubChem (CID 145252510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).