N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide

C22H22N6O2S — CID 71788068

IUPACN-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(CC(=O)N1CCCc3ccccc31)CC2)c1cnccn1
InChIInChI=1S/C22H22N6O2S/c29-20(28-10-3-5-15-4-1-2-6-18(15)28)14-27-11-7-16-19(13-27)31-22(25-16)26-21(30)17-12-23-8-9-24-17/h1-2,4,6,8-9,12H,3,5,7,10-11,13-14H2,(H,25,26,30)
InChIKeyNVCLXXWBVZZPII-UHFFFAOYSA-N
MW434.53 g/mol
LogP2.52
Rot. Bonds4

About N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide

N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide (PubChem CID 71788068) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
PubChem CID71788068
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC NameN-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(CC(=O)N1CCCc3ccccc31)CC2)c1cnccn1
InChIInChI=1S/C22H22N6O2S/c29-20(28-10-3-5-15-4-1-2-6-18(15)28)14-27-11-7-16-19(13-27)31-22(25-16)26-21(30)17-12-23-8-9-24-17/h1-2,4,6,8-9,12H,3,5,7,10-11,13-14H2,(H,25,26,30)
InChIKeyNVCLXXWBVZZPII-UHFFFAOYSA-N
XLogP2.52
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide (CID 71788068) is N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide is O=C(Nc1nc2c(s1)CN(CC(=O)N1CCCc3ccccc31)CC2)c1cnccn1.
What is the InChIKey of N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?
The InChIKey is NVCLXXWBVZZPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c29-20(28-10-3-5-15-4-1-2-6-18(15)28)14-27-11-7-16-19(13-27)31-22(25-16)26-21(30)17-12-23-8-9-24-17/h1-2,4,6,8-9,12H,3,5,7,10-11,13-14H2,(H,25,26,30).
What are the key properties of N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?
N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide has a molecular weight of 434.53 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 71788068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).