2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-cyclopropylacetamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]hexanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-methylpentanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-phenylacetamide

C69H96N24O16 — CID 91526340

IUPAC2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-cyclopropylacetamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]hexanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-methylpentanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-phenylacetamide
SMILESCC(C)CC(N)C(=O)N[C@@H]1C(O)[C@H](n2cnc3c(N)ccnc32)O[C@@H]1CO.CCCCC(N)C(=O)N[C@@H]1C(O)[C@H](n2cnc3c(N)ccnc32)O[C@@H]1CO.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](NC(=O)C(N)C2CC2)C1O.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](NC(=O)C(N)c2ccccc2)C1O
InChIInChI=1S/C19H22N6O4.2C17H26N6O4.C16H22N6O4/c20-11-6-7-22-17-14(11)23-9-25(17)19-16(27)15(12(8-26)29-19)24-18(28)13(21)10-4-2-1-3-5-10;1-8(2)5-10(19)16(26)22-13-11(6-24)27-17(14(13)25)23-7-21-12-9(18)3-4-20-15(12)23;1-2-3-4-10(19)16(26)22-13-11(7-24)27-17(14(13)25)23-8-21-12-9(18)5-6-20-15(12)23;17-8-3-4-19-14-11(8)20-6-22(14)16-13(24)12(9(5-23)26-16)21-15(25)10(18)7-1-2-7/h1-7,9,12-13,15-16,19,26-27H,8,21H2,(H2,20,22)(H,24,28);3-4,7-8,10-11,13-14,17,24-25H,5-6,19H2,1-2H3,(H2,18,20)(H,22,26);5-6,8,10-11,13-14,17,24-25H,2-4,7,19H2,1H3,(H2,18,20)(H,22,26);3-4,6-7,9-10,12-13,16,23-24H,1-2,5,18H2,(H2,17,19)(H,21,25)/t12-,13?,15+,16?,19-;2*10?,11-,13+,14?,17-;9-,10?,12+,13?,16-/m1111/s1
InChIKeyGTYLOFDSFNBEAJ-NYAZXSBNSA-N
MW1517.68 g/mol
LogP-3.68
Rot. Bonds23

About 2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-cyclopropylacetamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]hexanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-methylpentanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-phenylacetamide

2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-cyclopropylacetamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]hexanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-methylpentanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-phenylacetamide (PubChem CID 91526340) has the molecular formula C69H96N24O16 and a molecular weight of 1517.68 g/mol. Its IUPAC name is 2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-cyclopropylacetamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]hexanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-methylpentanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-cyclopropylacetamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]hexanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-methylpentanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-phenylacetamide
PubChem CID91526340
Molecular FormulaC69H96N24O16
Molecular Weight1517.68 g/mol
Exact Mass1516.74
IUPAC Name2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-cyclopropylacetamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]hexanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-methylpentanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-phenylacetamide
SMILESCC(C)CC(N)C(=O)N[C@@H]1C(O)[C@H](n2cnc3c(N)ccnc32)O[C@@H]1CO.CCCCC(N)C(=O)N[C@@H]1C(O)[C@H](n2cnc3c(N)ccnc32)O[C@@H]1CO.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](NC(=O)C(N)C2CC2)C1O.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](NC(=O)C(N)c2ccccc2)C1O
InChIInChI=1S/C19H22N6O4.2C17H26N6O4.C16H22N6O4/c20-11-6-7-22-17-14(11)23-9-25(17)19-16(27)15(12(8-26)29-19)24-18(28)13(21)10-4-2-1-3-5-10;1-8(2)5-10(19)16(26)22-13-11(6-24)27-17(14(13)25)23-7-21-12-9(18)3-4-20-15(12)23;1-2-3-4-10(19)16(26)22-13-11(7-24)27-17(14(13)25)23-8-21-12-9(18)5-6-20-15(12)23;17-8-3-4-19-14-11(8)20-6-22(14)16-13(24)12(9(5-23)26-16)21-15(25)10(18)7-1-2-7/h1-7,9,12-13,15-16,19,26-27H,8,21H2,(H2,20,22)(H,24,28);3-4,7-8,10-11,13-14,17,24-25H,5-6,19H2,1-2H3,(H2,18,20)(H,22,26);5-6,8,10-11,13-14,17,24-25H,2-4,7,19H2,1H3,(H2,18,20)(H,22,26);3-4,6-7,9-10,12-13,16,23-24H,1-2,5,18H2,(H2,17,19)(H,21,25)/t12-,13?,15+,16?,19-;2*10?,11-,13+,14?,17-;9-,10?,12+,13?,16-/m1111/s1
InChIKeyGTYLOFDSFNBEAJ-NYAZXSBNSA-N
XLogP-3.68
TPSA646.16 Ų
H-Bond Donors20
H-Bond Acceptors36
Rotatable Bonds23
Heavy Atoms109
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001517.68
LogP ≤ 5-3.68
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1036

Analyze 2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-cyclopropylacetamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]hexanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-methylpentanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-phenylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-cyclopropylacetamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]hexanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-methylpentanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-phenylacetamide?
The IUPAC name of 2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-cyclopropylacetamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]hexanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-methylpentanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-phenylacetamide (CID 91526340) is 2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-cyclopropylacetamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]hexanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-methylpentanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-cyclopropylacetamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]hexanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-methylpentanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-phenylacetamide?
The canonical SMILES for 2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-cyclopropylacetamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]hexanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-methylpentanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-phenylacetamide is CC(C)CC(N)C(=O)N[C@@H]1C(O)[C@H](n2cnc3c(N)ccnc32)O[C@@H]1CO.CCCCC(N)C(=O)N[C@@H]1C(O)[C@H](n2cnc3c(N)ccnc32)O[C@@H]1CO.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](NC(=O)C(N)C2CC2)C1O.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](NC(=O)C(N)c2ccccc2)C1O.
What is the InChIKey of 2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-cyclopropylacetamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]hexanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-methylpentanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-phenylacetamide?
The InChIKey is GTYLOFDSFNBEAJ-NYAZXSBNSA-N. The full InChI is InChI=1S/C19H22N6O4.2C17H26N6O4.C16H22N6O4/c20-11-6-7-22-17-14(11)23-9-25(17)19-16(27)15(12(8-26)29-19)24-18(28)13(21)10-4-2-1-3-5-10;1-8(2)5-10(19)16(26)22-13-11(6-24)27-17(14(13)25)23-7-21-12-9(18)3-4-20-15(12)23;1-2-3-4-10(19)16(26)22-13-11(7-24)27-17(14(13)25)23-8-21-12-9(18)5-6-20-15(12)23;17-8-3-4-19-14-11(8)20-6-22(14)16-13(24)12(9(5-23)26-16)21-15(25)10(18)7-1-2-7/h1-7,9,12-13,15-16,19,26-27H,8,21H2,(H2,20,22)(H,24,28);3-4,7-8,10-11,13-14,17,24-25H,5-6,19H2,1-2H3,(H2,18,20)(H,22,26);5-6,8,10-11,13-14,17,24-25H,2-4,7,19H2,1H3,(H2,18,20)(H,22,26);3-4,6-7,9-10,12-13,16,23-24H,1-2,5,18H2,(H2,17,19)(H,21,25)/t12-,13?,15+,16?,19-;2*10?,11-,13+,14?,17-;9-,10?,12+,13?,16-/m1111/s1.
What are the key properties of 2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-cyclopropylacetamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]hexanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-methylpentanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-phenylacetamide?
2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-cyclopropylacetamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]hexanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-methylpentanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-phenylacetamide has a molecular weight of 1517.68 g/mol, XLogP of -3.68, 23 rotatable bonds, 20 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-cyclopropylacetamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]hexanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-methylpentanamide;2-amino-N-[(2S,3R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-phenylacetamide is sourced from PubChem (CID 91526340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).