[4-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]methanol

C19H21N5OS — CID 66623798

IUPAC[4-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]methanol
SMILESCC(C)CCn1cc(-c2cn3cc(-c4csc(CO)n4)ccc3n2)cn1
InChIInChI=1S/C19H21N5OS/c1-13(2)5-6-24-9-15(7-20-24)16-10-23-8-14(3-4-18(23)21-16)17-12-26-19(11-25)22-17/h3-4,7-10,12-13,25H,5-6,11H2,1-2H3
InChIKeyHGQIUMKXTCAPOB-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.86
Rot. Bonds6

About [4-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]methanol

[4-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]methanol (PubChem CID 66623798) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is [4-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]methanol
PubChem CID66623798
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name[4-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]methanol
SMILESCC(C)CCn1cc(-c2cn3cc(-c4csc(CO)n4)ccc3n2)cn1
InChIInChI=1S/C19H21N5OS/c1-13(2)5-6-24-9-15(7-20-24)16-10-23-8-14(3-4-18(23)21-16)17-12-26-19(11-25)22-17/h3-4,7-10,12-13,25H,5-6,11H2,1-2H3
InChIKeyHGQIUMKXTCAPOB-UHFFFAOYSA-N
XLogP3.86
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]methanol (CID 66623798) is [4-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]methanol is CC(C)CCn1cc(-c2cn3cc(-c4csc(CO)n4)ccc3n2)cn1.
What is the InChIKey of [4-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]methanol?
The InChIKey is HGQIUMKXTCAPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13(2)5-6-24-9-15(7-20-24)16-10-23-8-14(3-4-18(23)21-16)17-12-26-19(11-25)22-17/h3-4,7-10,12-13,25H,5-6,11H2,1-2H3.
What are the key properties of [4-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]methanol?
[4-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]methanol has a molecular weight of 367.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 66623798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).