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

C25H24N6 — CID 137088328

IUPAC5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazole
SMILESc1cc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN6CCCCC6)c5)cc34)cc2cn1
InChIInChI=1S/C25H24N6/c1-2-8-31(9-3-1)16-17-10-19(14-27-13-17)18-4-5-23-21(11-18)25(30-29-23)24-12-20-15-26-7-6-22(20)28-24/h4-7,10-15,28H,1-3,8-9,16H2,(H,29,30)
InChIKeyJJHWWHYJAOGNHI-UHFFFAOYSA-N
MW408.51 g/mol
LogP5.15
Rot. Bonds4

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

5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazole (PubChem CID 137088328) has the molecular formula C25H24N6 and a molecular weight of 408.51 g/mol. Its IUPAC name is 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazole.

Molecular Properties

Compound Name5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazole
PubChem CID137088328
Molecular FormulaC25H24N6
Molecular Weight408.51 g/mol
Exact Mass408.21
IUPAC Name5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazole
SMILESc1cc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN6CCCCC6)c5)cc34)cc2cn1
InChIInChI=1S/C25H24N6/c1-2-8-31(9-3-1)16-17-10-19(14-27-13-17)18-4-5-23-21(11-18)25(30-29-23)24-12-20-15-26-7-6-22(20)28-24/h4-7,10-15,28H,1-3,8-9,16H2,(H,29,30)
InChIKeyJJHWWHYJAOGNHI-UHFFFAOYSA-N
XLogP5.15
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazole?
The IUPAC name of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazole (CID 137088328) is 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazole.
What is the SMILES notation for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazole?
The canonical SMILES for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazole is c1cc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN6CCCCC6)c5)cc34)cc2cn1.
What is the InChIKey of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazole?
The InChIKey is JJHWWHYJAOGNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6/c1-2-8-31(9-3-1)16-17-10-19(14-27-13-17)18-4-5-23-21(11-18)25(30-29-23)24-12-20-15-26-7-6-22(20)28-24/h4-7,10-15,28H,1-3,8-9,16H2,(H,29,30).
What are the key properties of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazole?
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazole has a molecular weight of 408.51 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazole is sourced from PubChem (CID 137088328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).