7-fluoro-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylic acid

C19H18FN5O3 — CID 176933045

IUPAC7-fluoro-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(C3=CCCN(C(=O)CCn4ccnn4)C3)c(F)c2[nH]1
InChIInChI=1S/C19H18FN5O3/c20-17-14(4-3-12-10-15(19(27)28)22-18(12)17)13-2-1-7-24(11-13)16(26)5-8-25-9-6-21-23-25/h2-4,6,9-10,22H,1,5,7-8,11H2,(H,27,28)
InChIKeyFXZIOZUXLOUKLK-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.30
Rot. Bonds5

About 7-fluoro-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylic acid

7-fluoro-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylic acid (PubChem CID 176933045) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is 7-fluoro-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylic acid
PubChem CID176933045
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name7-fluoro-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(C3=CCCN(C(=O)CCn4ccnn4)C3)c(F)c2[nH]1
InChIInChI=1S/C19H18FN5O3/c20-17-14(4-3-12-10-15(19(27)28)22-18(12)17)13-2-1-7-24(11-13)16(26)5-8-25-9-6-21-23-25/h2-4,6,9-10,22H,1,5,7-8,11H2,(H,27,28)
InChIKeyFXZIOZUXLOUKLK-UHFFFAOYSA-N
XLogP2.30
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
methyl 7-fluoro-4-[(3R)-1-methylpyrrolidin-3-yl]-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylate
CID 176811132
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
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
1-[5-[4-chloro-7-fluoro-2-[4-(6-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 176811296
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
1-[5-[2-(4-tert-butylpiperazine-1-carbonyl)-7-fluoro-4-(2-methoxyphenyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177169963
(3R)-1-[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carbonyl]pyrrolidine-3-carboxamide
CID 177172192
7-fluoro-4-(3-methoxy-5-methyl-4-pyridinyl)-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177171937
1-[5-[7-fluoro-2-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]-4-(2-methoxyphenyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177170863
1-[5-[7-fluoro-2-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-(5-methoxyquinolin-6-yl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177171105
1-[5-[7-fluoro-2-[4-(3-methoxy-6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-(2-methoxyphenyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177171051

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylic acid?
The IUPAC name of 7-fluoro-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylic acid (CID 176933045) is 7-fluoro-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-fluoro-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-fluoro-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylic acid is O=C(O)c1cc2ccc(C3=CCCN(C(=O)CCn4ccnn4)C3)c(F)c2[nH]1.
What is the InChIKey of 7-fluoro-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylic acid?
The InChIKey is FXZIOZUXLOUKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3/c20-17-14(4-3-12-10-15(19(27)28)22-18(12)17)13-2-1-7-24(11-13)16(26)5-8-25-9-6-21-23-25/h2-4,6,9-10,22H,1,5,7-8,11H2,(H,27,28).
What are the key properties of 7-fluoro-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylic acid?
7-fluoro-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylic acid has a molecular weight of 383.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 176933045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).