7-(1H-indazol-5-yl)-N,N-dimethyl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide

C28H27N7O3 — CID 177171527

IUPAC7-(1H-indazol-5-yl)-N,N-dimethyl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide
SMILESCN(C)C(=O)c1cc2cc(C3=CCCN(C(=O)CCn4ccnn4)C3)cc(-c3ccc4[nH]ncc4c3)c2o1
InChIInChI=1S/C28H27N7O3/c1-33(2)28(37)25-15-21-13-20(14-23(27(21)38-25)18-5-6-24-22(12-18)16-30-31-24)19-4-3-9-34(17-19)26(36)7-10-35-11-8-29-32-35/h4-6,8,11-16H,3,7,9-10,17H2,1-2H3,(H,30,31)
InChIKeySSNYXANDYTUMNC-UHFFFAOYSA-N
MW509.57 g/mol
LogP3.98
Rot. Bonds6

About 7-(1H-indazol-5-yl)-N,N-dimethyl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide

7-(1H-indazol-5-yl)-N,N-dimethyl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide (PubChem CID 177171527) has the molecular formula C28H27N7O3 and a molecular weight of 509.57 g/mol. Its IUPAC name is 7-(1H-indazol-5-yl)-N,N-dimethyl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-(1H-indazol-5-yl)-N,N-dimethyl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide
PubChem CID177171527
Molecular FormulaC28H27N7O3
Molecular Weight509.57 g/mol
Exact Mass509.22
IUPAC Name7-(1H-indazol-5-yl)-N,N-dimethyl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide
SMILESCN(C)C(=O)c1cc2cc(C3=CCCN(C(=O)CCn4ccnn4)C3)cc(-c3ccc4[nH]ncc4c3)c2o1
InChIInChI=1S/C28H27N7O3/c1-33(2)28(37)25-15-21-13-20(14-23(27(21)38-25)18-5-6-24-22(12-18)16-30-31-24)19-4-3-9-34(17-19)26(36)7-10-35-11-8-29-32-35/h4-6,8,11-16H,3,7,9-10,17H2,1-2H3,(H,30,31)
InChIKeySSNYXANDYTUMNC-UHFFFAOYSA-N
XLogP3.98
TPSA113.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.57
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(1H-indazol-5-yl)-N,N-dimethyl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N,N-dimethyl-7-(piperidin-1-ylmethyl)-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide
CID 177171131
2-hydroxy-N,N-dimethyl-4-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]benzamide
CID 176815292
N,N-dimethyl-3-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-6-carboxamide
CID 177171981
8-(2-methoxyphenyl)-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]naphthalene-2-carboxamide
CID 176815285
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-[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
5-[1-[(2R)-2-amino-3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide
CID 177171440
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
7-[5-[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]piperidin-1-yl]-5-oxopent-1-ynyl]-N,N-dimethyl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide
CID 176932937
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
N,N,1,7-tetramethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]indole-5-carboxamide
CID 176933015

Frequently Asked Questions

What is the IUPAC name of 7-(1H-indazol-5-yl)-N,N-dimethyl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-(1H-indazol-5-yl)-N,N-dimethyl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide (CID 177171527) is 7-(1H-indazol-5-yl)-N,N-dimethyl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-(1H-indazol-5-yl)-N,N-dimethyl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-(1H-indazol-5-yl)-N,N-dimethyl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide is CN(C)C(=O)c1cc2cc(C3=CCCN(C(=O)CCn4ccnn4)C3)cc(-c3ccc4[nH]ncc4c3)c2o1.
What is the InChIKey of 7-(1H-indazol-5-yl)-N,N-dimethyl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide?
The InChIKey is SSNYXANDYTUMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O3/c1-33(2)28(37)25-15-21-13-20(14-23(27(21)38-25)18-5-6-24-22(12-18)16-30-31-24)19-4-3-9-34(17-19)26(36)7-10-35-11-8-29-32-35/h4-6,8,11-16H,3,7,9-10,17H2,1-2H3,(H,30,31).
What are the key properties of 7-(1H-indazol-5-yl)-N,N-dimethyl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide?
7-(1H-indazol-5-yl)-N,N-dimethyl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide has a molecular weight of 509.57 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indazol-5-yl)-N,N-dimethyl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 177171527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).