N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide

C23H16F3N3OS — CID 140512757

IUPACN-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccn1
InChIInChI=1S/C23H16F3N3OS/c24-23(25,26)15-11-18-20(28-12-15)19(17-7-3-4-8-27-17)21(31-18)22(30)29-16-9-13-5-1-2-6-14(13)10-16/h1-8,11-12,16H,9-10H2,(H,29,30)
InChIKeyZFAWDPRTNBKWCR-UHFFFAOYSA-N
MW439.46 g/mol
LogP5.27
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide

N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 140512757) has the molecular formula C23H16F3N3OS and a molecular weight of 439.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide
PubChem CID140512757
Molecular FormulaC23H16F3N3OS
Molecular Weight439.46 g/mol
Exact Mass439.10
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccn1
InChIInChI=1S/C23H16F3N3OS/c24-23(25,26)15-11-18-20(28-12-15)19(17-7-3-4-8-27-17)21(31-18)22(30)29-16-9-13-5-1-2-6-14(13)10-16/h1-8,11-12,16H,9-10H2,(H,29,30)
InChIKeyZFAWDPRTNBKWCR-UHFFFAOYSA-N
XLogP5.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.46
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide (CID 140512757) is N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide is O=C(NC1Cc2ccccc2C1)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccn1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is ZFAWDPRTNBKWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3OS/c24-23(25,26)15-11-18-20(28-12-15)19(17-7-3-4-8-27-17)21(31-18)22(30)29-16-9-13-5-1-2-6-14(13)10-16/h1-8,11-12,16H,9-10H2,(H,29,30).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 439.46 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 140512757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).