5-(6-amino-4-methyl-3-pyridinyl)-3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-indazole-6-carbonitrile

C25H24N6 — CID 167237313

IUPAC5-(6-amino-4-methyl-3-pyridinyl)-3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-indazole-6-carbonitrile
SMILESCc1cc(N)ncc1-c1cc2c(-c3cc(C)c4c(c3)CN(C)CC4)n[nH]c2cc1C#N
InChIInChI=1S/C25H24N6/c1-14-6-16(8-18-13-31(3)5-4-19(14)18)25-21-10-20(17(11-26)9-23(21)29-30-25)22-12-28-24(27)7-15(22)2/h6-10,12H,4-5,13H2,1-3H3,(H2,27,28)(H,29,30)
InChIKeyWTALPPMOGUOHGS-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.35
Rot. Bonds2

About 5-(6-amino-4-methyl-3-pyridinyl)-3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-indazole-6-carbonitrile

5-(6-amino-4-methyl-3-pyridinyl)-3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-indazole-6-carbonitrile (PubChem CID 167237313) has the molecular formula C25H24N6 and a molecular weight of 408.51 g/mol. Its IUPAC name is 5-(6-amino-4-methyl-3-pyridinyl)-3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-indazole-6-carbonitrile.

Molecular Properties

Compound Name5-(6-amino-4-methyl-3-pyridinyl)-3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-indazole-6-carbonitrile
PubChem CID167237313
Molecular FormulaC25H24N6
Molecular Weight408.51 g/mol
Exact Mass408.21
IUPAC Name5-(6-amino-4-methyl-3-pyridinyl)-3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-indazole-6-carbonitrile
SMILESCc1cc(N)ncc1-c1cc2c(-c3cc(C)c4c(c3)CN(C)CC4)n[nH]c2cc1C#N
InChIInChI=1S/C25H24N6/c1-14-6-16(8-18-13-31(3)5-4-19(14)18)25-21-10-20(17(11-26)9-23(21)29-30-25)22-12-28-24(27)7-15(22)2/h6-10,12H,4-5,13H2,1-3H3,(H2,27,28)(H,29,30)
InChIKeyWTALPPMOGUOHGS-UHFFFAOYSA-N
XLogP4.35
TPSA94.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-4-methyl-3-pyridinyl)-3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-indazole-6-carbonitrile?
The IUPAC name of 5-(6-amino-4-methyl-3-pyridinyl)-3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-indazole-6-carbonitrile (CID 167237313) is 5-(6-amino-4-methyl-3-pyridinyl)-3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-indazole-6-carbonitrile.
What is the SMILES notation for 5-(6-amino-4-methyl-3-pyridinyl)-3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-indazole-6-carbonitrile?
The canonical SMILES for 5-(6-amino-4-methyl-3-pyridinyl)-3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-indazole-6-carbonitrile is Cc1cc(N)ncc1-c1cc2c(-c3cc(C)c4c(c3)CN(C)CC4)n[nH]c2cc1C#N.
What is the InChIKey of 5-(6-amino-4-methyl-3-pyridinyl)-3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-indazole-6-carbonitrile?
The InChIKey is WTALPPMOGUOHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6/c1-14-6-16(8-18-13-31(3)5-4-19(14)18)25-21-10-20(17(11-26)9-23(21)29-30-25)22-12-28-24(27)7-15(22)2/h6-10,12H,4-5,13H2,1-3H3,(H2,27,28)(H,29,30).
What are the key properties of 5-(6-amino-4-methyl-3-pyridinyl)-3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-indazole-6-carbonitrile?
5-(6-amino-4-methyl-3-pyridinyl)-3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-indazole-6-carbonitrile has a molecular weight of 408.51 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-4-methyl-3-pyridinyl)-3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-indazole-6-carbonitrile is sourced from PubChem (CID 167237313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).