ethane;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole

C50H53N15 — CID 145252720

IUPACethane;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole
SMILESCC.CN1CCN(c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cnccn6)cc45)cc23)CC1.Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCN(C)CC6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C25H25N7.C23H22N8.C2H6/c1-16-9-18(13-26-12-16)17-3-4-21-20(10-17)25(30-29-21)22-11-19-23(28-22)14-27-15-24(19)32-7-5-31(2)6-8-32;1-30-6-8-31(9-7-30)22-14-25-13-21-16(22)11-19(27-21)23-17-10-15(2-3-18(17)28-29-23)20-12-24-4-5-26-20;1-2/h3-4,9-15,28H,5-8H2,1-2H3,(H,29,30);2-5,10-14,27H,6-9H2,1H3,(H,28,29);1-2H3
InChIKeyUNRUWXWXXYFKOM-UHFFFAOYSA-N
MW864.08 g/mol
LogP8.57
Rot. Bonds6

About ethane;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole

ethane;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole (PubChem CID 145252720) has the molecular formula C50H53N15 and a molecular weight of 864.08 g/mol. Its IUPAC name is ethane;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole.

Molecular Properties

Compound Nameethane;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole
PubChem CID145252720
Molecular FormulaC50H53N15
Molecular Weight864.08 g/mol
Exact Mass863.46
IUPAC Nameethane;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole
SMILESCC.CN1CCN(c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cnccn6)cc45)cc23)CC1.Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCN(C)CC6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C25H25N7.C23H22N8.C2H6/c1-16-9-18(13-26-12-16)17-3-4-21-20(10-17)25(30-29-21)22-11-19-23(28-22)14-27-15-24(19)32-7-5-31(2)6-8-32;1-30-6-8-31(9-7-30)22-14-25-13-21-16(22)11-19(27-21)23-17-10-15(2-3-18(17)28-29-23)20-12-24-4-5-26-20;1-2/h3-4,9-15,28H,5-8H2,1-2H3,(H,29,30);2-5,10-14,27H,6-9H2,1H3,(H,28,29);1-2H3
InChIKeyUNRUWXWXXYFKOM-UHFFFAOYSA-N
XLogP8.57
TPSA166.35 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500864.08
LogP ≤ 58.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze ethane;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole with MolForge

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Related Compounds

3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-1,2,3-triazol-1-yl)-1h-indazole
CID 135559064
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(2h-1,2,3-triazol-2-yl)-1h-indazole
CID 135559067
N-[(2S)-2-amino-3-phenylpropyl]-5-(3-methyl-1H-indazol-5-yl)pyridin-3-amine
CID 23647013
6-(5-methyl-1H-1,2,3-triazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole
CID 135559065
3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(1H-pyrazol-1-yl)-1H-indazole
CID 135559066
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137039626
5-(3-pyridinyl)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-Indazole
CID 137088071
5-(4-methyl-3-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole
CID 137116186
4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine
CID 137116773
US10660877, Example 692
CID 139447345
3-(5-methyl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 136199391
US10660877, Example 682
CID 134330069

Frequently Asked Questions

What is the IUPAC name of ethane;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole?
The IUPAC name of ethane;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole (CID 145252720) is ethane;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole.
What is the SMILES notation for ethane;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole?
The canonical SMILES for ethane;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole is CC.CN1CCN(c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cnccn6)cc45)cc23)CC1.Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCN(C)CC6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of ethane;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole?
The InChIKey is UNRUWXWXXYFKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7.C23H22N8.C2H6/c1-16-9-18(13-26-12-16)17-3-4-21-20(10-17)25(30-29-21)22-11-19-23(28-22)14-27-15-24(19)32-7-5-31(2)6-8-32;1-30-6-8-31(9-7-30)22-14-25-13-21-16(22)11-19(27-21)23-17-10-15(2-3-18(17)28-29-23)20-12-24-4-5-26-20;1-2/h3-4,9-15,28H,5-8H2,1-2H3,(H,29,30);2-5,10-14,27H,6-9H2,1H3,(H,28,29);1-2H3.
What are the key properties of ethane;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole?
ethane;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole has a molecular weight of 864.08 g/mol, XLogP of 8.57, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole is sourced from PubChem (CID 145252720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).