[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone

C18H20N6OS — CID 42432778

IUPAC[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCC(n2c(C3CCC3)nc3cccnc32)CC1
InChIInChI=1S/C18H20N6OS/c25-18(15-11-20-26-22-15)23-9-6-13(7-10-23)24-16(12-3-1-4-12)21-14-5-2-8-19-17(14)24/h2,5,8,11-13H,1,3-4,6-7,9-10H2
InChIKeyOPPBSIJZVQNXAW-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.03
Rot. Bonds3

About [4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone

[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 42432778) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is [4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID42432778
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCC(n2c(C3CCC3)nc3cccnc32)CC1
InChIInChI=1S/C18H20N6OS/c25-18(15-11-20-26-22-15)23-9-6-13(7-10-23)24-16(12-3-1-4-12)21-14-5-2-8-19-17(14)24/h2,5,8,11-13H,1,3-4,6-7,9-10H2
InChIKeyOPPBSIJZVQNXAW-UHFFFAOYSA-N
XLogP3.03
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

cyclohexyl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 53186782
2-(1H-benzimidazol-2-yl)-1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone
CID 42276477
1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 42362458
1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 42480259
1-[(3R)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-ethoxyethanone
CID 95108212
(3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 95108431
1-[4-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 53186802
cyclobutyl-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 42431837
3-cyclopropyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117160990
3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 53186908
2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42473072
1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 95108227

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of [4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone (CID 42432778) is [4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for [4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for [4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone is O=C(c1cnsn1)N1CCC(n2c(C3CCC3)nc3cccnc32)CC1.
What is the InChIKey of [4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is OPPBSIJZVQNXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c25-18(15-11-20-26-22-15)23-9-6-13(7-10-23)24-16(12-3-1-4-12)21-14-5-2-8-19-17(14)24/h2,5,8,11-13H,1,3-4,6-7,9-10H2.
What are the key properties of [4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone?
[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 368.47 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 42432778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).