5-[5-(1H-indazol-4-yl)-2-pyridinyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C25H23N5 — CID 67378834

IUPAC5-[5-(1H-indazol-4-yl)-2-pyridinyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2-c2ccc(-c3cccc4[nH]ncc34)cn2)CCN(C)C1
InChIInChI=1S/C25H23N5/c1-16-6-8-23-19(12-16)21-15-29(2)11-10-24(21)30(23)25-9-7-17(13-26-25)18-4-3-5-22-20(18)14-27-28-22/h3-9,12-14H,10-11,15H2,1-2H3,(H,27,28)
InChIKeyNHPPJEMBGDFRDP-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.87
Rot. Bonds2

About 5-[5-(1H-indazol-4-yl)-2-pyridinyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

5-[5-(1H-indazol-4-yl)-2-pyridinyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 67378834) has the molecular formula C25H23N5 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-[5-(1H-indazol-4-yl)-2-pyridinyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[5-(1H-indazol-4-yl)-2-pyridinyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID67378834
Molecular FormulaC25H23N5
Molecular Weight393.49 g/mol
Exact Mass393.20
IUPAC Name5-[5-(1H-indazol-4-yl)-2-pyridinyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2-c2ccc(-c3cccc4[nH]ncc34)cn2)CCN(C)C1
InChIInChI=1S/C25H23N5/c1-16-6-8-23-19(12-16)21-15-29(2)11-10-24(21)30(23)25-9-7-17(13-26-25)18-4-3-5-22-20(18)14-27-28-22/h3-9,12-14H,10-11,15H2,1-2H3,(H,27,28)
InChIKeyNHPPJEMBGDFRDP-UHFFFAOYSA-N
XLogP4.87
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(1H-indazol-4-yl)-2-pyridinyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 5-[5-(1H-indazol-4-yl)-2-pyridinyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 67378834) is 5-[5-(1H-indazol-4-yl)-2-pyridinyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 5-[5-(1H-indazol-4-yl)-2-pyridinyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 5-[5-(1H-indazol-4-yl)-2-pyridinyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)c1c(n2-c2ccc(-c3cccc4[nH]ncc34)cn2)CCN(C)C1.
What is the InChIKey of 5-[5-(1H-indazol-4-yl)-2-pyridinyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is NHPPJEMBGDFRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5/c1-16-6-8-23-19(12-16)21-15-29(2)11-10-24(21)30(23)25-9-7-17(13-26-25)18-4-3-5-22-20(18)14-27-28-22/h3-9,12-14H,10-11,15H2,1-2H3,(H,27,28).
What are the key properties of 5-[5-(1H-indazol-4-yl)-2-pyridinyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
5-[5-(1H-indazol-4-yl)-2-pyridinyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 393.49 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1H-indazol-4-yl)-2-pyridinyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 67378834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).