N,11-dimethyl-9-[(5-morpholin-4-yl-2-pyridinyl)methyl]-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine

C20H25N7OS — CID 160651808

IUPACN,11-dimethyl-9-[(5-morpholin-4-yl-2-pyridinyl)methyl]-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
SMILESCNc1nc2c(s1)CCN(Cc1ccc(N3CCOCC3)cn1)c1c-2cnn1C
InChIInChI=1S/C20H25N7OS/c1-21-20-24-18-16-12-23-25(2)19(16)27(6-5-17(18)29-20)13-14-3-4-15(11-22-14)26-7-9-28-10-8-26/h3-4,11-12H,5-10,13H2,1-2H3,(H,21,24)
InChIKeySVRAUULYCVWFSS-UHFFFAOYSA-N
MW411.54 g/mol
LogP2.38
Rot. Bonds4

About N,11-dimethyl-9-[(5-morpholin-4-yl-2-pyridinyl)methyl]-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine

N,11-dimethyl-9-[(5-morpholin-4-yl-2-pyridinyl)methyl]-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine (PubChem CID 160651808) has the molecular formula C20H25N7OS and a molecular weight of 411.54 g/mol. Its IUPAC name is N,11-dimethyl-9-[(5-morpholin-4-yl-2-pyridinyl)methyl]-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine.

Molecular Properties

Compound NameN,11-dimethyl-9-[(5-morpholin-4-yl-2-pyridinyl)methyl]-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
PubChem CID160651808
Molecular FormulaC20H25N7OS
Molecular Weight411.54 g/mol
Exact Mass411.18
IUPAC NameN,11-dimethyl-9-[(5-morpholin-4-yl-2-pyridinyl)methyl]-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
SMILESCNc1nc2c(s1)CCN(Cc1ccc(N3CCOCC3)cn1)c1c-2cnn1C
InChIInChI=1S/C20H25N7OS/c1-21-20-24-18-16-12-23-25(2)19(16)27(6-5-17(18)29-20)13-14-3-4-15(11-22-14)26-7-9-28-10-8-26/h3-4,11-12H,5-10,13H2,1-2H3,(H,21,24)
InChIKeySVRAUULYCVWFSS-UHFFFAOYSA-N
XLogP2.38
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N,11-dimethyl-9-[(5-morpholin-4-yl-2-pyridinyl)methyl]-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine with MolForge

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Related Compounds

1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(5-morpholin-4-yl-2-pyridinyl)methyl]imidazolidin-2-one
CID 174234040
2-(methylamino)-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
CID 75435971
4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 117078839
N-methylpropan-2-amine;4-(6-propan-2-yl-3-pyridinyl)morpholine
CID 156652466
N-ethyl-1-(5-morpholin-4-yl-2-pyridinyl)ethanamine
CID 83122280
tributyl-(5-morpholin-4-yl-2-pyridinyl)stannane
CID 73357508
4-[6-(1-ethoxyethyl)-3-pyridinyl]morpholine
CID 134477880
N-(5-fluoropyrimidin-2-yl)-9-(pyridin-2-ylmethyl)-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 56602969
5-chloro-N-(5-morpholin-4-yl-2-pyridinyl)thiophene-2-sulfonamide
CID 113025338
N,4-dimethyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]aniline
CID 143943044
N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]propan-1-amine
CID 83122279
5-morpholin-4-ylpyridine-2-sulfonohydrazide
CID 66681075

Frequently Asked Questions

What is the IUPAC name of N,11-dimethyl-9-[(5-morpholin-4-yl-2-pyridinyl)methyl]-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine?
The IUPAC name of N,11-dimethyl-9-[(5-morpholin-4-yl-2-pyridinyl)methyl]-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine (CID 160651808) is N,11-dimethyl-9-[(5-morpholin-4-yl-2-pyridinyl)methyl]-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine.
What is the SMILES notation for N,11-dimethyl-9-[(5-morpholin-4-yl-2-pyridinyl)methyl]-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine?
The canonical SMILES for N,11-dimethyl-9-[(5-morpholin-4-yl-2-pyridinyl)methyl]-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine is CNc1nc2c(s1)CCN(Cc1ccc(N3CCOCC3)cn1)c1c-2cnn1C.
What is the InChIKey of N,11-dimethyl-9-[(5-morpholin-4-yl-2-pyridinyl)methyl]-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine?
The InChIKey is SVRAUULYCVWFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7OS/c1-21-20-24-18-16-12-23-25(2)19(16)27(6-5-17(18)29-20)13-14-3-4-15(11-22-14)26-7-9-28-10-8-26/h3-4,11-12H,5-10,13H2,1-2H3,(H,21,24).
What are the key properties of N,11-dimethyl-9-[(5-morpholin-4-yl-2-pyridinyl)methyl]-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine?
N,11-dimethyl-9-[(5-morpholin-4-yl-2-pyridinyl)methyl]-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine has a molecular weight of 411.54 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,11-dimethyl-9-[(5-morpholin-4-yl-2-pyridinyl)methyl]-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine is sourced from PubChem (CID 160651808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).