N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine

C18H17N5S — CID 133423010

IUPACN-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
SMILESCc1cccn2cc(CNc3ncnc4sc5c(c34)CCC5)nc12
InChIInChI=1S/C18H17N5S/c1-11-4-3-7-23-9-12(22-17(11)23)8-19-16-15-13-5-2-6-14(13)24-18(15)21-10-20-16/h3-4,7,9-10H,2,5-6,8H2,1H3,(H,19,20,21)
InChIKeyAIKZRZHDLXKNES-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.75
Rot. Bonds3

About N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine

N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine (PubChem CID 133423010) has the molecular formula C18H17N5S and a molecular weight of 335.44 g/mol. Its IUPAC name is N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine.

Molecular Properties

Compound NameN-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
PubChem CID133423010
Molecular FormulaC18H17N5S
Molecular Weight335.44 g/mol
Exact Mass335.12
IUPAC NameN-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
SMILESCc1cccn2cc(CNc3ncnc4sc5c(c34)CCC5)nc12
InChIInChI=1S/C18H17N5S/c1-11-4-3-7-23-9-12(22-17(11)23)8-19-16-15-13-5-2-6-14(13)24-18(15)21-10-20-16/h3-4,7,9-10H,2,5-6,8H2,1H3,(H,19,20,21)
InChIKeyAIKZRZHDLXKNES-UHFFFAOYSA-N
XLogP3.75
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine with MolForge

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Related Compounds

N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 133414949
N-prop-2-ynyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 9251866
dimethyl-[[2-[(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)methyl]phenyl]methyl]azanium
CID 9025753
N-[(2-ethoxy-3-pyridinyl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 30826162
6-methyl-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrimidin-4-amine
CID 75497248
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 7997122
N-(2-pyrazol-1-ylethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 133270388
1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)propan-2-ol
CID 2926596
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 55680635
10-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-11-[[(2R)-oxolan-2-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 41083489
N-(2-methylpropyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-amine
CID 4689752
methyl 2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)acetate
CID 23824989

Frequently Asked Questions

What is the IUPAC name of N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine?
The IUPAC name of N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine (CID 133423010) is N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine.
What is the SMILES notation for N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine?
The canonical SMILES for N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine is Cc1cccn2cc(CNc3ncnc4sc5c(c34)CCC5)nc12.
What is the InChIKey of N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine?
The InChIKey is AIKZRZHDLXKNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5S/c1-11-4-3-7-23-9-12(22-17(11)23)8-19-16-15-13-5-2-6-14(13)24-18(15)21-10-20-16/h3-4,7,9-10H,2,5-6,8H2,1H3,(H,19,20,21).
What are the key properties of N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine?
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine has a molecular weight of 335.44 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine is sourced from PubChem (CID 133423010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).