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

C23H21N7 — CID 137111591

IUPAC3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-indazole
SMILESc1ncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)ccnc5[nH]4)c3c2)cn1
InChIInChI=1S/C23H21N7/c1-2-8-30(9-3-1)21-6-7-26-23-18(21)11-20(27-23)22-17-10-15(4-5-19(17)28-29-22)16-12-24-14-25-13-16/h4-7,10-14H,1-3,8-9H2,(H,26,27)(H,28,29)
InChIKeySFRZNPJPNMZMTQ-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.55
Rot. Bonds3

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

3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-indazole (PubChem CID 137111591) has the molecular formula C23H21N7 and a molecular weight of 395.47 g/mol. Its IUPAC name is 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-indazole.

Molecular Properties

Compound Name3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-indazole
PubChem CID137111591
Molecular FormulaC23H21N7
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-indazole
SMILESc1ncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)ccnc5[nH]4)c3c2)cn1
InChIInChI=1S/C23H21N7/c1-2-8-30(9-3-1)21-6-7-26-23-18(21)11-20(27-23)22-17-10-15(4-5-19(17)28-29-22)16-12-24-14-25-13-16/h4-7,10-14H,1-3,8-9H2,(H,26,27)(H,28,29)
InChIKeySFRZNPJPNMZMTQ-UHFFFAOYSA-N
XLogP4.55
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137111535
3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyridin-2-yl-1H-indazole
CID 137087181
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
5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137115913
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
2-methyl-N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137111940
N,N-dimethyl-2-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137111633
2,2-dimethyl-N-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137489106
3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-indazole
CID 137114151
N,N-dimethyl-2-[[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
CID 138603240
3-(4-piperidin-1-yl-1H-indol-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137115804

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-indazole?
The IUPAC name of 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-indazole (CID 137111591) is 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-indazole.
What is the SMILES notation for 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-indazole?
The canonical SMILES for 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-indazole is c1ncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)ccnc5[nH]4)c3c2)cn1.
What is the InChIKey of 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-indazole?
The InChIKey is SFRZNPJPNMZMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7/c1-2-8-30(9-3-1)21-6-7-26-23-18(21)11-20(27-23)22-17-10-15(4-5-19(17)28-29-22)16-12-24-14-25-13-16/h4-7,10-14H,1-3,8-9H2,(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-pyrimidin-5-yl-1H-indazole?
3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-indazole has a molecular weight of 395.47 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 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-pyrimidin-5-yl-1H-indazole is sourced from PubChem (CID 137111591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).