(2S)-N-(3-cyclobutyl-5-isocyanoimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;N-[3-cyclobutyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide;3,3-dimethyl-N-[5-methyl-3-(1-methyltriazol-4-yl)imidazo[4,5-b]pyridin-2-yl]butanamide

C72H96N22O5 — CID 158777817

IUPAC(2S)-N-(3-cyclobutyl-5-isocyanoimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;N-[3-cyclobutyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide;3,3-dimethyl-N-[5-methyl-3-(1-methyltriazol-4-yl)imidazo[4,5-b]pyridin-2-yl]butanamide
SMILESCC1CCN(c2ccc3nc(NC(=O)CC(C)(C)C)n(C4CCC4)c3n2)CC1.Cc1cc(-n2c(NC(=O)CC(C)(C)C)nc3ccc(C)nc32)on1.Cc1ccc2nc(NC(=O)CC(C)(C)C)n(-c3cn(C)nn3)c2n1.[C-]#[N+]c1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(C3CCC3)c2n1
InChIInChI=1S/C22H33N5O.C17H21N5O2.C17H21N5O.C16H21N7O/c1-15-10-12-26(13-11-15)18-9-8-17-20(24-18)27(16-6-5-7-16)21(23-17)25-19(28)14-22(2,3)4;1-10-6-7-12-15(18-10)22(14-8-11(2)21-24-14)16(19-12)20-13(23)9-17(3,4)5;1-10(2)11(3)16(23)21-17-19-13-8-9-14(18-4)20-15(13)22(17)12-6-5-7-12;1-10-6-7-11-14(17-10)23(12-9-22(5)21-20-12)15(18-11)19-13(24)8-16(2,3)4/h8-9,15-16H,5-7,10-14H2,1-4H3,(H,23,25,28);6-8H,9H2,1-5H3,(H,19,20,23);8-12H,5-7H2,1-3H3,(H,19,21,23);6-7,9H,8H2,1-5H3,(H,18,19,24)/t;;11-;/m..0./s1
InChIKeyIQRQHMJLZILSDW-MCWBHULYSA-N
MW1349.71 g/mol
LogP14.34
Rot. Bonds14

About (2S)-N-(3-cyclobutyl-5-isocyanoimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;N-[3-cyclobutyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide;3,3-dimethyl-N-[5-methyl-3-(1-methyltriazol-4-yl)imidazo[4,5-b]pyridin-2-yl]butanamide

(2S)-N-(3-cyclobutyl-5-isocyanoimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;N-[3-cyclobutyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide;3,3-dimethyl-N-[5-methyl-3-(1-methyltriazol-4-yl)imidazo[4,5-b]pyridin-2-yl]butanamide (PubChem CID 158777817) has the molecular formula C72H96N22O5 and a molecular weight of 1349.71 g/mol. Its IUPAC name is (2S)-N-(3-cyclobutyl-5-isocyanoimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;N-[3-cyclobutyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide;3,3-dimethyl-N-[5-methyl-3-(1-methyltriazol-4-yl)imidazo[4,5-b]pyridin-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyclobutyl-5-isocyanoimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;N-[3-cyclobutyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide;3,3-dimethyl-N-[5-methyl-3-(1-methyltriazol-4-yl)imidazo[4,5-b]pyridin-2-yl]butanamide
PubChem CID158777817
Molecular FormulaC72H96N22O5
Molecular Weight1349.71 g/mol
Exact Mass1348.79
IUPAC Name(2S)-N-(3-cyclobutyl-5-isocyanoimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;N-[3-cyclobutyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide;3,3-dimethyl-N-[5-methyl-3-(1-methyltriazol-4-yl)imidazo[4,5-b]pyridin-2-yl]butanamide
SMILESCC1CCN(c2ccc3nc(NC(=O)CC(C)(C)C)n(C4CCC4)c3n2)CC1.Cc1cc(-n2c(NC(=O)CC(C)(C)C)nc3ccc(C)nc32)on1.Cc1ccc2nc(NC(=O)CC(C)(C)C)n(-c3cn(C)nn3)c2n1.[C-]#[N+]c1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(C3CCC3)c2n1
InChIInChI=1S/C22H33N5O.C17H21N5O2.C17H21N5O.C16H21N7O/c1-15-10-12-26(13-11-15)18-9-8-17-20(24-18)27(16-6-5-7-16)21(23-17)25-19(28)14-22(2,3)4;1-10-6-7-12-15(18-10)22(14-8-11(2)21-24-14)16(19-12)20-13(23)9-17(3,4)5;1-10(2)11(3)16(23)21-17-19-13-8-9-14(18-4)20-15(13)22(17)12-6-5-7-12;1-10-6-7-11-14(17-10)23(12-9-22(5)21-20-12)15(18-11)19-13(24)8-16(2,3)4/h8-9,15-16H,5-7,10-14H2,1-4H3,(H,23,25,28);6-8H,9H2,1-5H3,(H,19,20,23);8-12H,5-7H2,1-3H3,(H,19,21,23);6-7,9H,8H2,1-5H3,(H,18,19,24)/t;;11-;/m..0./s1
InChIKeyIQRQHMJLZILSDW-MCWBHULYSA-N
XLogP14.34
TPSA303.58 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms99
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001349.71
LogP ≤ 514.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze (2S)-N-(3-cyclobutyl-5-isocyanoimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;N-[3-cyclobutyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide;3,3-dimethyl-N-[5-methyl-3-(1-methyltriazol-4-yl)imidazo[4,5-b]pyridin-2-yl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyclobutyl-5-isocyanoimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;N-[3-cyclobutyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide;3,3-dimethyl-N-[5-methyl-3-(1-methyltriazol-4-yl)imidazo[4,5-b]pyridin-2-yl]butanamide?
The IUPAC name of (2S)-N-(3-cyclobutyl-5-isocyanoimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;N-[3-cyclobutyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide;3,3-dimethyl-N-[5-methyl-3-(1-methyltriazol-4-yl)imidazo[4,5-b]pyridin-2-yl]butanamide (CID 158777817) is (2S)-N-(3-cyclobutyl-5-isocyanoimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;N-[3-cyclobutyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide;3,3-dimethyl-N-[5-methyl-3-(1-methyltriazol-4-yl)imidazo[4,5-b]pyridin-2-yl]butanamide.
What is the SMILES notation for (2S)-N-(3-cyclobutyl-5-isocyanoimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;N-[3-cyclobutyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide;3,3-dimethyl-N-[5-methyl-3-(1-methyltriazol-4-yl)imidazo[4,5-b]pyridin-2-yl]butanamide?
The canonical SMILES for (2S)-N-(3-cyclobutyl-5-isocyanoimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;N-[3-cyclobutyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide;3,3-dimethyl-N-[5-methyl-3-(1-methyltriazol-4-yl)imidazo[4,5-b]pyridin-2-yl]butanamide is CC1CCN(c2ccc3nc(NC(=O)CC(C)(C)C)n(C4CCC4)c3n2)CC1.Cc1cc(-n2c(NC(=O)CC(C)(C)C)nc3ccc(C)nc32)on1.Cc1ccc2nc(NC(=O)CC(C)(C)C)n(-c3cn(C)nn3)c2n1.[C-]#[N+]c1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(C3CCC3)c2n1.
What is the InChIKey of (2S)-N-(3-cyclobutyl-5-isocyanoimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;N-[3-cyclobutyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide;3,3-dimethyl-N-[5-methyl-3-(1-methyltriazol-4-yl)imidazo[4,5-b]pyridin-2-yl]butanamide?
The InChIKey is IQRQHMJLZILSDW-MCWBHULYSA-N. The full InChI is InChI=1S/C22H33N5O.C17H21N5O2.C17H21N5O.C16H21N7O/c1-15-10-12-26(13-11-15)18-9-8-17-20(24-18)27(16-6-5-7-16)21(23-17)25-19(28)14-22(2,3)4;1-10-6-7-12-15(18-10)22(14-8-11(2)21-24-14)16(19-12)20-13(23)9-17(3,4)5;1-10(2)11(3)16(23)21-17-19-13-8-9-14(18-4)20-15(13)22(17)12-6-5-7-12;1-10-6-7-11-14(17-10)23(12-9-22(5)21-20-12)15(18-11)19-13(24)8-16(2,3)4/h8-9,15-16H,5-7,10-14H2,1-4H3,(H,23,25,28);6-8H,9H2,1-5H3,(H,19,20,23);8-12H,5-7H2,1-3H3,(H,19,21,23);6-7,9H,8H2,1-5H3,(H,18,19,24)/t;;11-;/m..0./s1.
What are the key properties of (2S)-N-(3-cyclobutyl-5-isocyanoimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;N-[3-cyclobutyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide;3,3-dimethyl-N-[5-methyl-3-(1-methyltriazol-4-yl)imidazo[4,5-b]pyridin-2-yl]butanamide?
(2S)-N-(3-cyclobutyl-5-isocyanoimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;N-[3-cyclobutyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide;3,3-dimethyl-N-[5-methyl-3-(1-methyltriazol-4-yl)imidazo[4,5-b]pyridin-2-yl]butanamide has a molecular weight of 1349.71 g/mol, XLogP of 14.34, 14 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyclobutyl-5-isocyanoimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;N-[3-cyclobutyl-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide;3,3-dimethyl-N-[5-methyl-3-(1-methyltriazol-4-yl)imidazo[4,5-b]pyridin-2-yl]butanamide is sourced from PubChem (CID 158777817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).