2-[4-(5-fluorothiophen-2-yl)-1H-indole-2-carboximidoyl]-4-pyridin-2-ylaniline

C24H17FN4S — CID 145248077

IUPAC2-[4-(5-fluorothiophen-2-yl)-1H-indole-2-carboximidoyl]-4-pyridin-2-ylaniline
SMILES[H]/N=C(\c1cc2c(-c3ccc(F)s3)cccc2[nH]1)c1cc(-c2ccccn2)ccc1N
InChIInChI=1S/C24H17FN4S/c25-23-10-9-22(30-23)15-4-3-6-20-16(15)13-21(29-20)24(27)17-12-14(7-8-18(17)26)19-5-1-2-11-28-19/h1-13,27,29H,26H2/b27-24-
InChIKeyBHQFDMFRRROZKF-PNHLSOANSA-N
MW412.49 g/mol
LogP6.10
Rot. Bonds4

About 2-[4-(5-fluorothiophen-2-yl)-1H-indole-2-carboximidoyl]-4-pyridin-2-ylaniline

2-[4-(5-fluorothiophen-2-yl)-1H-indole-2-carboximidoyl]-4-pyridin-2-ylaniline (PubChem CID 145248077) has the molecular formula C24H17FN4S and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[4-(5-fluorothiophen-2-yl)-1H-indole-2-carboximidoyl]-4-pyridin-2-ylaniline.

Molecular Properties

Compound Name2-[4-(5-fluorothiophen-2-yl)-1H-indole-2-carboximidoyl]-4-pyridin-2-ylaniline
PubChem CID145248077
Molecular FormulaC24H17FN4S
Molecular Weight412.49 g/mol
Exact Mass412.12
IUPAC Name2-[4-(5-fluorothiophen-2-yl)-1H-indole-2-carboximidoyl]-4-pyridin-2-ylaniline
SMILES[H]/N=C(\c1cc2c(-c3ccc(F)s3)cccc2[nH]1)c1cc(-c2ccccn2)ccc1N
InChIInChI=1S/C24H17FN4S/c25-23-10-9-22(30-23)15-4-3-6-20-16(15)13-21(29-20)24(27)17-12-14(7-8-18(17)26)19-5-1-2-11-28-19/h1-13,27,29H,26H2/b27-24-
InChIKeyBHQFDMFRRROZKF-PNHLSOANSA-N
XLogP6.10
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 56.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluorothiophen-2-yl)-1H-indole-2-carboximidoyl]-4-pyridin-2-ylaniline?
The IUPAC name of 2-[4-(5-fluorothiophen-2-yl)-1H-indole-2-carboximidoyl]-4-pyridin-2-ylaniline (CID 145248077) is 2-[4-(5-fluorothiophen-2-yl)-1H-indole-2-carboximidoyl]-4-pyridin-2-ylaniline.
What is the SMILES notation for 2-[4-(5-fluorothiophen-2-yl)-1H-indole-2-carboximidoyl]-4-pyridin-2-ylaniline?
The canonical SMILES for 2-[4-(5-fluorothiophen-2-yl)-1H-indole-2-carboximidoyl]-4-pyridin-2-ylaniline is [H]/N=C(\c1cc2c(-c3ccc(F)s3)cccc2[nH]1)c1cc(-c2ccccn2)ccc1N.
What is the InChIKey of 2-[4-(5-fluorothiophen-2-yl)-1H-indole-2-carboximidoyl]-4-pyridin-2-ylaniline?
The InChIKey is BHQFDMFRRROZKF-PNHLSOANSA-N. The full InChI is InChI=1S/C24H17FN4S/c25-23-10-9-22(30-23)15-4-3-6-20-16(15)13-21(29-20)24(27)17-12-14(7-8-18(17)26)19-5-1-2-11-28-19/h1-13,27,29H,26H2/b27-24-.
What are the key properties of 2-[4-(5-fluorothiophen-2-yl)-1H-indole-2-carboximidoyl]-4-pyridin-2-ylaniline?
2-[4-(5-fluorothiophen-2-yl)-1H-indole-2-carboximidoyl]-4-pyridin-2-ylaniline has a molecular weight of 412.49 g/mol, XLogP of 6.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluorothiophen-2-yl)-1H-indole-2-carboximidoyl]-4-pyridin-2-ylaniline is sourced from PubChem (CID 145248077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).