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

C24H22N6 — CID 137087181

IUPAC3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyridin-2-yl-1H-indazole
SMILESc1ccc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)ccnc5[nH]4)c3c2)nc1
InChIInChI=1S/C24H22N6/c1-4-12-30(13-5-1)22-9-11-26-24-18(22)15-21(27-24)23-17-14-16(7-8-20(17)28-29-23)19-6-2-3-10-25-19/h2-3,6-11,14-15H,1,4-5,12-13H2,(H,26,27)(H,28,29)
InChIKeyMXIGMKHIHJRPSS-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.16
Rot. Bonds3

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

3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyridin-2-yl-1H-indazole (PubChem CID 137087181) has the molecular formula C24H22N6 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyridin-2-yl-1H-indazole.

Molecular Properties

Compound Name3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyridin-2-yl-1H-indazole
PubChem CID137087181
Molecular FormulaC24H22N6
Molecular Weight394.48 g/mol
Exact Mass394.19
IUPAC Name3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyridin-2-yl-1H-indazole
SMILESc1ccc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)ccnc5[nH]4)c3c2)nc1
InChIInChI=1S/C24H22N6/c1-4-12-30(13-5-1)22-9-11-26-24-18(22)15-21(27-24)23-17-14-16(7-8-20(17)28-29-23)19-6-2-3-10-25-19/h2-3,6-11,14-15H,1,4-5,12-13H2,(H,26,27)(H,28,29)
InChIKeyMXIGMKHIHJRPSS-UHFFFAOYSA-N
XLogP5.16
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-indazole
CID 137111591
5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137111535
4-piperidin-1-yl-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136936860
3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-2-yl-1H-indazole
CID 137283027
5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137111185
3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 138603218
3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole
CID 137312708
2-phenyl-1-[[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol
CID 138625707
N,N-dimethyl-1-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
CID 138603206
N,N-dimethyl-5-[3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137111530
5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137115913
3-(4-piperidin-1-yl-1H-indol-2-yl)-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 137112914

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyridin-2-yl-1H-indazole?
The IUPAC name of 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyridin-2-yl-1H-indazole (CID 137087181) is 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyridin-2-yl-1H-indazole.
What is the SMILES notation for 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyridin-2-yl-1H-indazole?
The canonical SMILES for 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyridin-2-yl-1H-indazole is c1ccc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)ccnc5[nH]4)c3c2)nc1.
What is the InChIKey of 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyridin-2-yl-1H-indazole?
The InChIKey is MXIGMKHIHJRPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6/c1-4-12-30(13-5-1)22-9-11-26-24-18(22)15-21(27-24)23-17-14-16(7-8-20(17)28-29-23)19-6-2-3-10-25-19/h2-3,6-11,14-15H,1,4-5,12-13H2,(H,26,27)(H,28,29).
What are the key properties of 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyridin-2-yl-1H-indazole?
3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyridin-2-yl-1H-indazole has a molecular weight of 394.48 g/mol, XLogP of 5.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyridin-2-yl-1H-indazole is sourced from PubChem (CID 137087181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).