8-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

C26H27N7O3S2 — CID 59588491

IUPAC8-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3cnc4nc(N)sc4c3)cccn12
InChIInChI=1S/C26H27N7O3S2/c1-14(2)8-17(12-34)30-25(36)21-20(16-5-7-37-13-16)31-23-18(4-3-6-33(21)23)24(35)29-11-15-9-19-22(28-10-15)32-26(27)38-19/h3-7,9-10,13-14,17,34H,8,11-12H2,1-2H3,(H,29,35)(H,30,36)(H2,27,28,32)/t17-/m0/s1
InChIKeyWDPLWTFFMPGDJJ-KRWDZBQOSA-N
MW549.68 g/mol
LogP3.72
Rot. Bonds9

About 8-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

8-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 59588491) has the molecular formula C26H27N7O3S2 and a molecular weight of 549.68 g/mol. Its IUPAC name is 8-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

Compound Name8-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID59588491
Molecular FormulaC26H27N7O3S2
Molecular Weight549.68 g/mol
Exact Mass549.16
IUPAC Name8-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3cnc4nc(N)sc4c3)cccn12
InChIInChI=1S/C26H27N7O3S2/c1-14(2)8-17(12-34)30-25(36)21-20(16-5-7-37-13-16)31-23-18(4-3-6-33(21)23)24(35)29-11-15-9-19-22(28-10-15)32-26(27)38-19/h3-7,9-10,13-14,17,34H,8,11-12H2,1-2H3,(H,29,35)(H,30,36)(H2,27,28,32)/t17-/m0/s1
InChIKeyWDPLWTFFMPGDJJ-KRWDZBQOSA-N
XLogP3.72
TPSA147.53 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.68
LogP ≤ 53.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 8-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The IUPAC name of 8-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 59588491) is 8-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.
What is the SMILES notation for 8-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The canonical SMILES for 8-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is CC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3cnc4nc(N)sc4c3)cccn12.
What is the InChIKey of 8-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The InChIKey is WDPLWTFFMPGDJJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H27N7O3S2/c1-14(2)8-17(12-34)30-25(36)21-20(16-5-7-37-13-16)31-23-18(4-3-6-33(21)23)24(35)29-11-15-9-19-22(28-10-15)32-26(27)38-19/h3-7,9-10,13-14,17,34H,8,11-12H2,1-2H3,(H,29,35)(H,30,36)(H2,27,28,32)/t17-/m0/s1.
What are the key properties of 8-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
8-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 549.68 g/mol, XLogP of 3.72, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 59588491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).