4-[3-[2-(7-fluoro-4-methoxyindazol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxylic acid

C20H17FN4O3S — CID 156711288

IUPAC4-[3-[2-(7-fluoro-4-methoxyindazol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxylic acid
SMILESCOc1ccc(F)c2c1cnn2CCNc1cccnc1-c1csc(C(=O)O)c1
InChIInChI=1S/C20H17FN4O3S/c1-28-16-5-4-14(21)19-13(16)10-24-25(19)8-7-22-15-3-2-6-23-18(15)12-9-17(20(26)27)29-11-12/h2-6,9-11,22H,7-8H2,1H3,(H,26,27)
InChIKeyQKJZDNKOTCTPBP-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.12
Rot. Bonds7

About 4-[3-[2-(7-fluoro-4-methoxyindazol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxylic acid

4-[3-[2-(7-fluoro-4-methoxyindazol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxylic acid (PubChem CID 156711288) has the molecular formula C20H17FN4O3S and a molecular weight of 412.45 g/mol. Its IUPAC name is 4-[3-[2-(7-fluoro-4-methoxyindazol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-[2-(7-fluoro-4-methoxyindazol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxylic acid
PubChem CID156711288
Molecular FormulaC20H17FN4O3S
Molecular Weight412.45 g/mol
Exact Mass412.10
IUPAC Name4-[3-[2-(7-fluoro-4-methoxyindazol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxylic acid
SMILESCOc1ccc(F)c2c1cnn2CCNc1cccnc1-c1csc(C(=O)O)c1
InChIInChI=1S/C20H17FN4O3S/c1-28-16-5-4-14(21)19-13(16)10-24-25(19)8-7-22-15-3-2-6-23-18(15)12-9-17(20(26)27)29-11-12/h2-6,9-11,22H,7-8H2,1H3,(H,26,27)
InChIKeyQKJZDNKOTCTPBP-UHFFFAOYSA-N
XLogP4.12
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(7-fluoro-4-methoxyindazol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[3-[2-(7-fluoro-4-methoxyindazol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxylic acid (CID 156711288) is 4-[3-[2-(7-fluoro-4-methoxyindazol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[3-[2-(7-fluoro-4-methoxyindazol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[3-[2-(7-fluoro-4-methoxyindazol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxylic acid is COc1ccc(F)c2c1cnn2CCNc1cccnc1-c1csc(C(=O)O)c1.
What is the InChIKey of 4-[3-[2-(7-fluoro-4-methoxyindazol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxylic acid?
The InChIKey is QKJZDNKOTCTPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3S/c1-28-16-5-4-14(21)19-13(16)10-24-25(19)8-7-22-15-3-2-6-23-18(15)12-9-17(20(26)27)29-11-12/h2-6,9-11,22H,7-8H2,1H3,(H,26,27).
What are the key properties of 4-[3-[2-(7-fluoro-4-methoxyindazol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxylic acid?
4-[3-[2-(7-fluoro-4-methoxyindazol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxylic acid has a molecular weight of 412.45 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(7-fluoro-4-methoxyindazol-1-yl)ethylamino]-2-pyridinyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 156711288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).