7-methyl-3-(1-thiophen-2-ylbutyl)imidazo[4,5-b]pyridin-2-amine

C15H18N4S — CID 79288597

IUPAC7-methyl-3-(1-thiophen-2-ylbutyl)imidazo[4,5-b]pyridin-2-amine
SMILESCCCC(c1cccs1)n1c(N)nc2c(C)ccnc21
InChIInChI=1S/C15H18N4S/c1-3-5-11(12-6-4-9-20-12)19-14-13(18-15(19)16)10(2)7-8-17-14/h4,6-9,11H,3,5H2,1-2H3,(H2,16,18)
InChIKeyMSZXMPDYNCHKRA-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.77
Rot. Bonds4

About 7-methyl-3-(1-thiophen-2-ylbutyl)imidazo[4,5-b]pyridin-2-amine

7-methyl-3-(1-thiophen-2-ylbutyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79288597) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 7-methyl-3-(1-thiophen-2-ylbutyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name7-methyl-3-(1-thiophen-2-ylbutyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79288597
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name7-methyl-3-(1-thiophen-2-ylbutyl)imidazo[4,5-b]pyridin-2-amine
SMILESCCCC(c1cccs1)n1c(N)nc2c(C)ccnc21
InChIInChI=1S/C15H18N4S/c1-3-5-11(12-6-4-9-20-12)19-14-13(18-15(19)16)10(2)7-8-17-14/h4,6-9,11H,3,5H2,1-2H3,(H2,16,18)
InChIKeyMSZXMPDYNCHKRA-UHFFFAOYSA-N
XLogP3.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 79288525
7-methyl-3-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 79293782
ethyl 2-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)propanoate
CID 79288175
7-methyl-3-(3-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 79288016
methyl 5-amino-2-ethyl-1-(1-thiophen-2-ylbutyl)imidazole-4-carboxylate
CID 103544931
3-[1-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288522
3-[4-(furan-2-yl)butan-2-yl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288390
3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine
CID 79290150
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288315
3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 107816967
2-(2-chloroethyl)-3-hexan-3-yl-7-methylimidazo[4,5-b]pyridine
CID 79293815
7-methyl-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 79288094

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(1-thiophen-2-ylbutyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 7-methyl-3-(1-thiophen-2-ylbutyl)imidazo[4,5-b]pyridin-2-amine (CID 79288597) is 7-methyl-3-(1-thiophen-2-ylbutyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 7-methyl-3-(1-thiophen-2-ylbutyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 7-methyl-3-(1-thiophen-2-ylbutyl)imidazo[4,5-b]pyridin-2-amine is CCCC(c1cccs1)n1c(N)nc2c(C)ccnc21.
What is the InChIKey of 7-methyl-3-(1-thiophen-2-ylbutyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is MSZXMPDYNCHKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-3-5-11(12-6-4-9-20-12)19-14-13(18-15(19)16)10(2)7-8-17-14/h4,6-9,11H,3,5H2,1-2H3,(H2,16,18).
What are the key properties of 7-methyl-3-(1-thiophen-2-ylbutyl)imidazo[4,5-b]pyridin-2-amine?
7-methyl-3-(1-thiophen-2-ylbutyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 286.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(1-thiophen-2-ylbutyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79288597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).