5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide

C19H18N6OS — CID 134207680

IUPAC5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
SMILESCc1nc2cc(C)c3c(N)c(C(=O)NC4Cc5cccnc5C4)sc3n2n1
InChIInChI=1S/C19H18N6OS/c1-9-6-14-22-10(2)24-25(14)19-15(9)16(20)17(27-19)18(26)23-12-7-11-4-3-5-21-13(11)8-12/h3-6,12H,7-8,20H2,1-2H3,(H,23,26)
InChIKeyCSTDXDYOBCJEQX-UHFFFAOYSA-N
MW378.46 g/mol
LogP2.44
Rot. Bonds2

About 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide

5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide (PubChem CID 134207680) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
PubChem CID134207680
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC Name5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
SMILESCc1nc2cc(C)c3c(N)c(C(=O)NC4Cc5cccnc5C4)sc3n2n1
InChIInChI=1S/C19H18N6OS/c1-9-6-14-22-10(2)24-25(14)19-15(9)16(20)17(27-19)18(26)23-12-7-11-4-3-5-21-13(11)8-12/h3-6,12H,7-8,20H2,1-2H3,(H,23,26)
InChIKeyCSTDXDYOBCJEQX-UHFFFAOYSA-N
XLogP2.44
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide?
The IUPAC name of 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide (CID 134207680) is 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide.
What is the SMILES notation for 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide?
The canonical SMILES for 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide is Cc1nc2cc(C)c3c(N)c(C(=O)NC4Cc5cccnc5C4)sc3n2n1.
What is the InChIKey of 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide?
The InChIKey is CSTDXDYOBCJEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c1-9-6-14-22-10(2)24-25(14)19-15(9)16(20)17(27-19)18(26)23-12-7-11-4-3-5-21-13(11)8-12/h3-6,12H,7-8,20H2,1-2H3,(H,23,26).
What are the key properties of 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide?
5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide is sourced from PubChem (CID 134207680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).