(2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C16H19N7OS — CID 70718128

IUPAC(2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCCn1c(N)nc2cc(C(=O)N3CCN(c4nccs4)CC3)cnc21
InChIInChI=1S/C16H19N7OS/c1-2-23-13-12(20-15(23)17)9-11(10-19-13)14(24)21-4-6-22(7-5-21)16-18-3-8-25-16/h3,8-10H,2,4-7H2,1H3,(H2,17,20)
InChIKeyPKNIWHHYHWMPGE-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.45
Rot. Bonds3

About (2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

(2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 70718128) has the molecular formula C16H19N7OS and a molecular weight of 357.44 g/mol. Its IUPAC name is (2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID70718128
Molecular FormulaC16H19N7OS
Molecular Weight357.44 g/mol
Exact Mass357.14
IUPAC Name(2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCCn1c(N)nc2cc(C(=O)N3CCN(c4nccs4)CC3)cnc21
InChIInChI=1S/C16H19N7OS/c1-2-23-13-12(20-15(23)17)9-11(10-19-13)14(24)21-4-6-22(7-5-21)16-18-3-8-25-16/h3,8-10H,2,4-7H2,1H3,(H2,17,20)
InChIKeyPKNIWHHYHWMPGE-UHFFFAOYSA-N
XLogP1.45
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 70718128) is (2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is CCn1c(N)nc2cc(C(=O)N3CCN(c4nccs4)CC3)cnc21.
What is the InChIKey of (2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is PKNIWHHYHWMPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7OS/c1-2-23-13-12(20-15(23)17)9-11(10-19-13)14(24)21-4-6-22(7-5-21)16-18-3-8-25-16/h3,8-10H,2,4-7H2,1H3,(H2,17,20).
What are the key properties of (2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 357.44 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-ethylimidazo[4,5-b]pyridin-6-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 70718128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).