tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate

C32H37N7O3S — CID 58095263

IUPACtert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate
SMILESCc1nc2ccc(CCCNC(=O)OC(C)(C)C)cn2c1-c1nc(-c2ccccc2)c(-c2ncn(C3CCCCO3)n2)s1
InChIInChI=1S/C32H37N7O3S/c1-21-27(38-19-22(15-16-24(38)35-21)11-10-17-33-31(40)42-32(2,3)4)30-36-26(23-12-6-5-7-13-23)28(43-30)29-34-20-39(37-29)25-14-8-9-18-41-25/h5-7,12-13,15-16,19-20,25H,8-11,14,17-18H2,1-4H3,(H,33,40)
InChIKeyAVTLSCZAAMTLPM-UHFFFAOYSA-N
MW599.76 g/mol
LogP6.85
Rot. Bonds8

About tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate

tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate (PubChem CID 58095263) has the molecular formula C32H37N7O3S and a molecular weight of 599.76 g/mol. Its IUPAC name is tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate
PubChem CID58095263
Molecular FormulaC32H37N7O3S
Molecular Weight599.76 g/mol
Exact Mass599.27
IUPAC Nametert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate
SMILESCc1nc2ccc(CCCNC(=O)OC(C)(C)C)cn2c1-c1nc(-c2ccccc2)c(-c2ncn(C3CCCCO3)n2)s1
InChIInChI=1S/C32H37N7O3S/c1-21-27(38-19-22(15-16-24(38)35-21)11-10-17-33-31(40)42-32(2,3)4)30-36-26(23-12-6-5-7-13-23)28(43-30)29-34-20-39(37-29)25-14-8-9-18-41-25/h5-7,12-13,15-16,19-20,25H,8-11,14,17-18H2,1-4H3,(H,33,40)
InChIKeyAVTLSCZAAMTLPM-UHFFFAOYSA-N
XLogP6.85
TPSA108.46 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.76
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate (CID 58095263) is tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate is Cc1nc2ccc(CCCNC(=O)OC(C)(C)C)cn2c1-c1nc(-c2ccccc2)c(-c2ncn(C3CCCCO3)n2)s1.
What is the InChIKey of tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate?
The InChIKey is AVTLSCZAAMTLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O3S/c1-21-27(38-19-22(15-16-24(38)35-21)11-10-17-33-31(40)42-32(2,3)4)30-36-26(23-12-6-5-7-13-23)28(43-30)29-34-20-39(37-29)25-14-8-9-18-41-25/h5-7,12-13,15-16,19-20,25H,8-11,14,17-18H2,1-4H3,(H,33,40).
What are the key properties of tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate?
tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate has a molecular weight of 599.76 g/mol, XLogP of 6.85, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-methyl-3-[5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]propyl]carbamate is sourced from PubChem (CID 58095263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).