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

C24H18FN5O2S — CID 3231828

IUPACN-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESCc1sc(NC(=O)c2cnccn2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1
InChIInChI=1S/C24H18FN5O2S/c1-14-21(28-24(33-14)29-22(31)19-13-26-8-9-27-19)16-5-6-20-15(11-16)7-10-30(20)23(32)17-3-2-4-18(25)12-17/h2-6,8-9,11-13H,7,10H2,1H3,(H,28,29,31)
InChIKeyXZMQYYIBARVYIR-UHFFFAOYSA-N
MW459.51 g/mol
LogP4.50
Rot. Bonds4

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

N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide (PubChem CID 3231828) has the molecular formula C24H18FN5O2S and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide
PubChem CID3231828
Molecular FormulaC24H18FN5O2S
Molecular Weight459.51 g/mol
Exact Mass459.12
IUPAC NameN-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESCc1sc(NC(=O)c2cnccn2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1
InChIInChI=1S/C24H18FN5O2S/c1-14-21(28-24(33-14)29-22(31)19-13-26-8-9-27-19)16-5-6-20-15(11-16)7-10-30(20)23(32)17-3-2-4-18(25)12-17/h2-6,8-9,11-13H,7,10H2,1H3,(H,28,29,31)
InChIKeyXZMQYYIBARVYIR-UHFFFAOYSA-N
XLogP4.50
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide (CID 3231828) is N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide is Cc1sc(NC(=O)c2cnccn2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1.
What is the InChIKey of N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The InChIKey is XZMQYYIBARVYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O2S/c1-14-21(28-24(33-14)29-22(31)19-13-26-8-9-27-19)16-5-6-20-15(11-16)7-10-30(20)23(32)17-3-2-4-18(25)12-17/h2-6,8-9,11-13H,7,10H2,1H3,(H,28,29,31).
What are the key properties of N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 3231828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).