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

C20H19N5OS — CID 134207684

IUPAC5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
SMILESCc1cn2c(cc(C)c3c(N)c(C(=O)NC4Cc5cccnc5C4)sc32)n1
InChIInChI=1S/C20H19N5OS/c1-10-6-15-23-11(2)9-25(15)20-16(10)17(21)18(27-20)19(26)24-13-7-12-4-3-5-22-14(12)8-13/h3-6,9,13H,7-8,21H2,1-2H3,(H,24,26)
InChIKeyBAYRNIMPWMTFSK-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.04
Rot. Bonds2

About 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10-diazatricyclo[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-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide (PubChem CID 134207684) has the molecular formula C20H19N5OS and a molecular weight of 377.47 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-diazatricyclo[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-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
PubChem CID134207684
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
SMILESCc1cn2c(cc(C)c3c(N)c(C(=O)NC4Cc5cccnc5C4)sc32)n1
InChIInChI=1S/C20H19N5OS/c1-10-6-15-23-11(2)9-25(15)20-16(10)17(21)18(27-20)19(26)24-13-7-12-4-3-5-22-14(12)8-13/h3-6,9,13H,7-8,21H2,1-2H3,(H,24,26)
InChIKeyBAYRNIMPWMTFSK-UHFFFAOYSA-N
XLogP3.04
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]benzamide
CID 20823952
N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]acetamide
CID 20823986
2-{3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}acetamide
CID 25093453
3-{3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}propanamide
CID 25093455
(2R)-2-amino-3-{3-[12-methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}propanamide
CID 25093457
(2S)-2-amino-3-{3-[12-methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}propanamide
CID 25093458
2-amino-N-methyl-3-{3-[12-methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}propanamide
CID 25093459
2-amino-N-ethyl-3-{3-[12-methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}propanamide
CID 25093460
3-Pyridinecarboxamide, N-[5-(3-thienyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-
CID 9858254
13-(2-Methylprop-2-enylamino)-5-pyridin-4-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 54580945
13-(Dimethylamino)-5-pyridin-3-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 57559552
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

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-diazatricyclo[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-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide (CID 134207684) is 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10-diazatricyclo[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-diazatricyclo[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-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide is Cc1cn2c(cc(C)c3c(N)c(C(=O)NC4Cc5cccnc5C4)sc32)n1.
What is the InChIKey of 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide?
The InChIKey is BAYRNIMPWMTFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-10-6-15-23-11(2)9-25(15)20-16(10)17(21)18(27-20)19(26)24-13-7-12-4-3-5-22-14(12)8-13/h3-6,9,13H,7-8,21H2,1-2H3,(H,24,26).
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-diazatricyclo[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-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 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-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide is sourced from PubChem (CID 134207684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).