4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine

C23H23N7S — CID 58094911

IUPAC4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine
SMILESCc1nc2ccc(CCCCN)cn2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C23H23N7S/c1-15-20(30-13-16(7-5-6-12-24)10-11-18(30)27-15)23-28-19(17-8-3-2-4-9-17)21(31-23)22-25-14-26-29-22/h2-4,8-11,13-14H,5-7,12,24H2,1H3,(H,25,26,29)
InChIKeySWDJCGXEMYCVEA-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.50
Rot. Bonds7

About 4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine

4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine (PubChem CID 58094911) has the molecular formula C23H23N7S and a molecular weight of 429.55 g/mol. Its IUPAC name is 4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine
PubChem CID58094911
Molecular FormulaC23H23N7S
Molecular Weight429.55 g/mol
Exact Mass429.17
IUPAC Name4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine
SMILESCc1nc2ccc(CCCCN)cn2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C23H23N7S/c1-15-20(30-13-16(7-5-6-12-24)10-11-18(30)27-15)23-28-19(17-8-3-2-4-9-17)21(31-23)22-25-14-26-29-22/h2-4,8-11,13-14H,5-7,12,24H2,1H3,(H,25,26,29)
InChIKeySWDJCGXEMYCVEA-UHFFFAOYSA-N
XLogP4.50
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine?
The IUPAC name of 4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine (CID 58094911) is 4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine.
What is the SMILES notation for 4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine?
The canonical SMILES for 4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine is Cc1nc2ccc(CCCCN)cn2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1.
What is the InChIKey of 4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine?
The InChIKey is SWDJCGXEMYCVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7S/c1-15-20(30-13-16(7-5-6-12-24)10-11-18(30)27-15)23-28-19(17-8-3-2-4-9-17)21(31-23)22-25-14-26-29-22/h2-4,8-11,13-14H,5-7,12,24H2,1H3,(H,25,26,29).
What are the key properties of 4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine?
4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine has a molecular weight of 429.55 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine is sourced from PubChem (CID 58094911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).