1-amino-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide

C21H23N5O2S — CID 2984911

IUPAC1-amino-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESNc1c(C(=O)Nc2ccccn2)sc2nc(N3CCOCC3)c3c(c12)CCCC3
InChIInChI=1S/C21H23N5O2S/c22-17-16-13-5-1-2-6-14(13)19(26-9-11-28-12-10-26)25-21(16)29-18(17)20(27)24-15-7-3-4-8-23-15/h3-4,7-8H,1-2,5-6,9-12,22H2,(H,23,24,27)
InChIKeyNEAAPBHIBWGZKJ-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.24
Rot. Bonds3

About 1-amino-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide

1-amino-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (PubChem CID 2984911) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 1-amino-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.

Molecular Properties

Compound Name1-amino-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
PubChem CID2984911
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name1-amino-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESNc1c(C(=O)Nc2ccccn2)sc2nc(N3CCOCC3)c3c(c12)CCCC3
InChIInChI=1S/C21H23N5O2S/c22-17-16-13-5-1-2-6-14(13)19(26-9-11-28-12-10-26)25-21(16)29-18(17)20(27)24-15-7-3-4-8-23-15/h3-4,7-8H,1-2,5-6,9-12,22H2,(H,23,24,27)
InChIKeyNEAAPBHIBWGZKJ-UHFFFAOYSA-N
XLogP3.24
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-amino-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide with MolForge

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Related Compounds

1-amino-N-(furan-2-ylmethyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 661594
1-amino-N-(4-chlorophenyl)-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxamide
CID 39035691
(1-amino-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridin-2-yl)-phenylmethanone
CID 39047303
methyl 1-amino-5-piperidin-1-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
CID 915749
1-amino-N-(oxolan-2-ylmethyl)-5-piperidin-1-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 4903390
3-amino-12,12-dimethyl-8-morpholin-4-yl-N-(1,3-thiazol-2-yl)-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene-4-carboxamide
CID 3791228
(1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-morpholin-4-ylmethanone
CID 16644543
(3-amino-12,12-dimethyl-8-morpholin-4-yl-5,11-dithia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-phenylmethanone
CID 5152628
1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonitrile
CID 687349
3-amino-5-oxo-N-pyridin-2-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
CID 155813416
4-(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-14-ium-13-yl)morpholine
CID 6984460
3-amino-6-[4-(morpholine-4-carbonyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide
CID 66745239

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The IUPAC name of 1-amino-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (CID 2984911) is 1-amino-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.
What is the SMILES notation for 1-amino-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The canonical SMILES for 1-amino-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is Nc1c(C(=O)Nc2ccccn2)sc2nc(N3CCOCC3)c3c(c12)CCCC3.
What is the InChIKey of 1-amino-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The InChIKey is NEAAPBHIBWGZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c22-17-16-13-5-1-2-6-14(13)19(26-9-11-28-12-10-26)25-21(16)29-18(17)20(27)24-15-7-3-4-8-23-15/h3-4,7-8H,1-2,5-6,9-12,22H2,(H,23,24,27).
What are the key properties of 1-amino-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
1-amino-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide has a molecular weight of 409.52 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is sourced from PubChem (CID 2984911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).