4-(3-ethoxy-4-pyridinyl)-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

C28H30FN7O3 — CID 177171383

IUPAC4-(3-ethoxy-4-pyridinyl)-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
SMILESCCOc1cnccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N(C)C)cc12
InChIInChI=1S/C28H30FN7O3/c1-4-39-24-16-30-9-7-19(24)21-14-20(26(29)27-22(21)15-23(32-27)28(38)34(2)3)18-6-5-11-35(17-18)25(37)8-12-36-13-10-31-33-36/h6-7,9-10,13-16,32H,4-5,8,11-12,17H2,1-3H3
InChIKeyCJIODZNCFCLTGB-UHFFFAOYSA-N
MW531.59 g/mol
LogP3.77
Rot. Bonds8

About 4-(3-ethoxy-4-pyridinyl)-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

4-(3-ethoxy-4-pyridinyl)-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (PubChem CID 177171383) has the molecular formula C28H30FN7O3 and a molecular weight of 531.59 g/mol. Its IUPAC name is 4-(3-ethoxy-4-pyridinyl)-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-(3-ethoxy-4-pyridinyl)-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
PubChem CID177171383
Molecular FormulaC28H30FN7O3
Molecular Weight531.59 g/mol
Exact Mass531.24
IUPAC Name4-(3-ethoxy-4-pyridinyl)-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
SMILESCCOc1cnccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N(C)C)cc12
InChIInChI=1S/C28H30FN7O3/c1-4-39-24-16-30-9-7-19(24)21-14-20(26(29)27-22(21)15-23(32-27)28(38)34(2)3)18-6-5-11-35(17-18)25(37)8-12-36-13-10-31-33-36/h6-7,9-10,13-16,32H,4-5,8,11-12,17H2,1-3H3
InChIKeyCJIODZNCFCLTGB-UHFFFAOYSA-N
XLogP3.77
TPSA109.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.59
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(3-ethoxy-4-pyridinyl)-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Gsk-2292767
CID 49783923
1-[7-(1,3-benzoxazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 507819
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indole-2,3-dione
CID 23647542
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(furan-2-yl)isoquinoline
CID 23647585
(6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600573
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}isoquinolin-1-ol
CID 10309844
4-[5-(2-Morpholin-4-ylethoxy)-3-pyridinyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one
CID 25066206
4-[5-(2-Methoxyethoxy)-3-pyridinyl]-5,13,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15)-hexaen-12-one
CID 25066415
N-(6-(2-methylpyridin-3-yloxy)pyridin-3-yl)-1H-indole-2-carboxamide
CID 44251315
5-fluoro-2-(1H-indol-5-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 44555125
5-fluoro-2-(1H-indol-6-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 44555290
7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enyl-N-pyridin-4-ylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 49864462

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-4-pyridinyl)-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
The IUPAC name of 4-(3-ethoxy-4-pyridinyl)-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (CID 177171383) is 4-(3-ethoxy-4-pyridinyl)-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-(3-ethoxy-4-pyridinyl)-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-(3-ethoxy-4-pyridinyl)-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is CCOc1cnccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(C(=O)N(C)C)cc12.
What is the InChIKey of 4-(3-ethoxy-4-pyridinyl)-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
The InChIKey is CJIODZNCFCLTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN7O3/c1-4-39-24-16-30-9-7-19(24)21-14-20(26(29)27-22(21)15-23(32-27)28(38)34(2)3)18-6-5-11-35(17-18)25(37)8-12-36-13-10-31-33-36/h6-7,9-10,13-16,32H,4-5,8,11-12,17H2,1-3H3.
What are the key properties of 4-(3-ethoxy-4-pyridinyl)-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
4-(3-ethoxy-4-pyridinyl)-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide has a molecular weight of 531.59 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-4-pyridinyl)-7-fluoro-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 177171383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).