N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide

C24H17FN4O2S — CID 1450356

IUPACN-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)cs1)c1cccnc1
InChIInChI=1S/C24H17FN4O2S/c25-19-6-2-1-5-18(19)23(31)29-11-9-16-12-15(7-8-21(16)29)20-14-32-24(27-20)28-22(30)17-4-3-10-26-13-17/h1-8,10,12-14H,9,11H2,(H,27,28,30)
InChIKeyIWZMHVADDMOVQB-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.80
Rot. Bonds4

About N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide

N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 1450356) has the molecular formula C24H17FN4O2S and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID1450356
Molecular FormulaC24H17FN4O2S
Molecular Weight444.49 g/mol
Exact Mass444.11
IUPAC NameN-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)cs1)c1cccnc1
InChIInChI=1S/C24H17FN4O2S/c25-19-6-2-1-5-18(19)23(31)29-11-9-16-12-15(7-8-21(16)29)20-14-32-24(27-20)28-22(30)17-4-3-10-26-13-17/h1-8,10,12-14H,9,11H2,(H,27,28,30)
InChIKeyIWZMHVADDMOVQB-UHFFFAOYSA-N
XLogP4.80
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 1450356) is N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide is O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)cs1)c1cccnc1.
What is the InChIKey of N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is IWZMHVADDMOVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O2S/c25-19-6-2-1-5-18(19)23(31)29-11-9-16-12-15(7-8-21(16)29)20-14-32-24(27-20)28-22(30)17-4-3-10-26-13-17/h1-8,10,12-14H,9,11H2,(H,27,28,30).
What are the key properties of N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 1450356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).