1-[5-(2-pyridazin-3-yl-1H-indol-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one

C22H21N7O — CID 177170462

IUPAC1-[5-(2-pyridazin-3-yl-1H-indol-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
SMILESO=C(CCn1ccnn1)N1CCC=C(c2ccc3cc(-c4cccnn4)[nH]c3c2)C1
InChIInChI=1S/C22H21N7O/c30-22(7-11-29-12-9-24-27-29)28-10-2-3-18(15-28)16-5-6-17-14-21(25-20(17)13-16)19-4-1-8-23-26-19/h1,3-6,8-9,12-14,25H,2,7,10-11,15H2
InChIKeyDQUDVADYKDRTCX-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.92
Rot. Bonds5

About 1-[5-(2-pyridazin-3-yl-1H-indol-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one

1-[5-(2-pyridazin-3-yl-1H-indol-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one (PubChem CID 177170462) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 1-[5-(2-pyridazin-3-yl-1H-indol-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[5-(2-pyridazin-3-yl-1H-indol-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
PubChem CID177170462
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name1-[5-(2-pyridazin-3-yl-1H-indol-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
SMILESO=C(CCn1ccnn1)N1CCC=C(c2ccc3cc(-c4cccnn4)[nH]c3c2)C1
InChIInChI=1S/C22H21N7O/c30-22(7-11-29-12-9-24-27-29)28-10-2-3-18(15-28)16-5-6-17-14-21(25-20(17)13-16)19-4-1-8-23-26-19/h1,3-6,8-9,12-14,25H,2,7,10-11,15H2
InChIKeyDQUDVADYKDRTCX-UHFFFAOYSA-N
XLogP2.92
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(2-pyridazin-3-yl-1H-indol-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one with MolForge

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Related Compounds

7-fluoro-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylic acid
CID 176933045
2-hydroxy-N,N-dimethyl-4-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]benzamide
CID 176815292
1-[5-(7-fluoro-2-methyl-1H-indol-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one;formic acid
CID 177170193
1-[5-[2-(6-methyl-3-pyridinyl)-1-benzofuran-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177171457
N,N-dimethyl-7-phenyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-5-carboxamide
CID 177170767
methyl 2-[2-(dimethylcarbamoyl)-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]phenoxy]acetate
CID 176815277
1-[5-[2-(3-hydroxyazetidine-1-carbonyl)-1-benzofuran-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177170391
1-[2-(2-methoxyphenyl)-4-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridin-2-one
CID 176815279
N,N-dimethyl-4-phenoxy-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177170048
1-[5-[2-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)-7-fluoro-4-pyridazin-3-yl-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177171343
N,N-dimethyl-3-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-6-carboxamide
CID 177171981
N-[10-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]decyl]-N-methyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 176932522

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-pyridazin-3-yl-1H-indol-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
The IUPAC name of 1-[5-(2-pyridazin-3-yl-1H-indol-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one (CID 177170462) is 1-[5-(2-pyridazin-3-yl-1H-indol-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[5-(2-pyridazin-3-yl-1H-indol-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[5-(2-pyridazin-3-yl-1H-indol-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one is O=C(CCn1ccnn1)N1CCC=C(c2ccc3cc(-c4cccnn4)[nH]c3c2)C1.
What is the InChIKey of 1-[5-(2-pyridazin-3-yl-1H-indol-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
The InChIKey is DQUDVADYKDRTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c30-22(7-11-29-12-9-24-27-29)28-10-2-3-18(15-28)16-5-6-17-14-21(25-20(17)13-16)19-4-1-8-23-26-19/h1,3-6,8-9,12-14,25H,2,7,10-11,15H2.
What are the key properties of 1-[5-(2-pyridazin-3-yl-1H-indol-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one?
1-[5-(2-pyridazin-3-yl-1H-indol-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one has a molecular weight of 399.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-pyridazin-3-yl-1H-indol-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one is sourced from PubChem (CID 177170462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).