8-N-[[6-(cyclopropylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

C28H32N6O3S — CID 59588760

IUPAC8-N-[[6-(cyclopropylamino)-3-pyridinyl]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)NCc3ccc(NC4CC4)nc3)cccn12
InChIInChI=1S/C28H32N6O3S/c1-17(2)12-21(15-35)32-28(37)25-24(19-9-11-38-16-19)33-26-22(4-3-10-34(25)26)27(36)30-14-18-5-8-23(29-13-18)31-20-6-7-20/h3-5,8-11,13,16-17,20-21,35H,6-7,12,14-15H2,1-2H3,(H,29,31)(H,30,36)(H,32,37)/t21-/m0/s1
InChIKeyNMGJRXSSIAEULA-NRFANRHFSA-N
MW532.67 g/mol
LogP4.10
Rot. Bonds11

About 8-N-[[6-(cyclopropylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

8-N-[[6-(cyclopropylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 59588760) has the molecular formula C28H32N6O3S and a molecular weight of 532.67 g/mol. Its IUPAC name is 8-N-[[6-(cyclopropylamino)-3-pyridinyl]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-[[6-(cyclopropylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID59588760
Molecular FormulaC28H32N6O3S
Molecular Weight532.67 g/mol
Exact Mass532.23
IUPAC Name8-N-[[6-(cyclopropylamino)-3-pyridinyl]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)NCc3ccc(NC4CC4)nc3)cccn12
InChIInChI=1S/C28H32N6O3S/c1-17(2)12-21(15-35)32-28(37)25-24(19-9-11-38-16-19)33-26-22(4-3-10-34(25)26)27(36)30-14-18-5-8-23(29-13-18)31-20-6-7-20/h3-5,8-11,13,16-17,20-21,35H,6-7,12,14-15H2,1-2H3,(H,29,31)(H,30,36)(H,32,37)/t21-/m0/s1
InChIKeyNMGJRXSSIAEULA-NRFANRHFSA-N
XLogP4.10
TPSA120.65 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.67
LogP ≤ 54.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 8-N-[[6-(cyclopropylamino)-3-pyridinyl]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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Launch Full Analysis

Related Compounds

N-Cyclopropyl-4-{8-[(Thiophen-2-Ylmethyl)amino]imidazo[1,2-A]pyrazin-3-Yl}benzamide
CID 57382314
US10100058, Example 229
CID 134539886
6-pyridin-2-yl-N-thiophen-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 155551480
4-[8-(4-Morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide
CID 57399216
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide
CID 67123042
1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide
CID 137638641
2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 46942984
N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 46948410
Tcmdc-142346
CID 70693465
N-[(3S)-piperidin-3-yl]-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 49836037
3H-Imidazo[4,5-b]pyridine-7-carboxamide, N-(3S)-3-piperidinyl-2-(2-thienyl)-
CID 49855487
N-(piperidin-3-ylmethyl)-2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 49855488

Frequently Asked Questions

What is the IUPAC name of 8-N-[[6-(cyclopropylamino)-3-pyridinyl]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-[[6-(cyclopropylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 59588760) is 8-N-[[6-(cyclopropylamino)-3-pyridinyl]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-[[6-(cyclopropylamino)-3-pyridinyl]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-[[6-(cyclopropylamino)-3-pyridinyl]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)NCc3ccc(NC4CC4)nc3)cccn12.
What is the InChIKey of 8-N-[[6-(cyclopropylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The InChIKey is NMGJRXSSIAEULA-NRFANRHFSA-N. The full InChI is InChI=1S/C28H32N6O3S/c1-17(2)12-21(15-35)32-28(37)25-24(19-9-11-38-16-19)33-26-22(4-3-10-34(25)26)27(36)30-14-18-5-8-23(29-13-18)31-20-6-7-20/h3-5,8-11,13,16-17,20-21,35H,6-7,12,14-15H2,1-2H3,(H,29,31)(H,30,36)(H,32,37)/t21-/m0/s1.
What are the key properties of 8-N-[[6-(cyclopropylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
8-N-[[6-(cyclopropylamino)-3-pyridinyl]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 532.67 g/mol, XLogP of 4.10, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[[6-(cyclopropylamino)-3-pyridinyl]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 59588760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).