N-[3-[[(2R,4S)-4-hydroxy-1-[(2S,3R)-3-methoxy-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-oxooxolane-2-carboxamide

C26H36N6O7 — CID 58491906

IUPACN-[3-[[(2R,4S)-4-hydroxy-1-[(2S,3R)-3-methoxy-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-oxooxolane-2-carboxamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](O)C[C@H]1Cc1c[nH]c2nccc(NC(=O)C3CCC(=O)O3)c12)[C@@H](C)OC
InChIInChI=1S/C26H36N6O7/c1-13(27-3)24(35)31-22(14(2)38-4)26(37)32-12-17(33)10-16(32)9-15-11-29-23-21(15)18(7-8-28-23)30-25(36)19-5-6-20(34)39-19/h7-8,11,13-14,16-17,19,22,27,33H,5-6,9-10,12H2,1-4H3,(H,31,35)(H2,28,29,30,36)/t13-,14+,16+,17-,19?,22-/m0/s1
InChIKeyUSVGTTYZJBFJLE-LIRVMNJKSA-N
MW544.61 g/mol
LogP-0.16
Rot. Bonds10

About N-[3-[[(2R,4S)-4-hydroxy-1-[(2S,3R)-3-methoxy-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-oxooxolane-2-carboxamide

N-[3-[[(2R,4S)-4-hydroxy-1-[(2S,3R)-3-methoxy-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-oxooxolane-2-carboxamide (PubChem CID 58491906) has the molecular formula C26H36N6O7 and a molecular weight of 544.61 g/mol. Its IUPAC name is N-[3-[[(2R,4S)-4-hydroxy-1-[(2S,3R)-3-methoxy-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-oxooxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2R,4S)-4-hydroxy-1-[(2S,3R)-3-methoxy-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-oxooxolane-2-carboxamide
PubChem CID58491906
Molecular FormulaC26H36N6O7
Molecular Weight544.61 g/mol
Exact Mass544.26
IUPAC NameN-[3-[[(2R,4S)-4-hydroxy-1-[(2S,3R)-3-methoxy-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-oxooxolane-2-carboxamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](O)C[C@H]1Cc1c[nH]c2nccc(NC(=O)C3CCC(=O)O3)c12)[C@@H](C)OC
InChIInChI=1S/C26H36N6O7/c1-13(27-3)24(35)31-22(14(2)38-4)26(37)32-12-17(33)10-16(32)9-15-11-29-23-21(15)18(7-8-28-23)30-25(36)19-5-6-20(34)39-19/h7-8,11,13-14,16-17,19,22,27,33H,5-6,9-10,12H2,1-4H3,(H,31,35)(H2,28,29,30,36)/t13-,14+,16+,17-,19?,22-/m0/s1
InChIKeyUSVGTTYZJBFJLE-LIRVMNJKSA-N
XLogP-0.16
TPSA174.98 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.61
LogP ≤ 5-0.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze N-[3-[[(2R,4S)-4-hydroxy-1-[(2S,3R)-3-methoxy-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-oxooxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R,4S)-4-hydroxy-1-[(2S,3R)-3-methoxy-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-oxooxolane-2-carboxamide?
The IUPAC name of N-[3-[[(2R,4S)-4-hydroxy-1-[(2S,3R)-3-methoxy-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-oxooxolane-2-carboxamide (CID 58491906) is N-[3-[[(2R,4S)-4-hydroxy-1-[(2S,3R)-3-methoxy-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-oxooxolane-2-carboxamide.
What is the SMILES notation for N-[3-[[(2R,4S)-4-hydroxy-1-[(2S,3R)-3-methoxy-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-oxooxolane-2-carboxamide?
The canonical SMILES for N-[3-[[(2R,4S)-4-hydroxy-1-[(2S,3R)-3-methoxy-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-oxooxolane-2-carboxamide is CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](O)C[C@H]1Cc1c[nH]c2nccc(NC(=O)C3CCC(=O)O3)c12)[C@@H](C)OC.
What is the InChIKey of N-[3-[[(2R,4S)-4-hydroxy-1-[(2S,3R)-3-methoxy-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-oxooxolane-2-carboxamide?
The InChIKey is USVGTTYZJBFJLE-LIRVMNJKSA-N. The full InChI is InChI=1S/C26H36N6O7/c1-13(27-3)24(35)31-22(14(2)38-4)26(37)32-12-17(33)10-16(32)9-15-11-29-23-21(15)18(7-8-28-23)30-25(36)19-5-6-20(34)39-19/h7-8,11,13-14,16-17,19,22,27,33H,5-6,9-10,12H2,1-4H3,(H,31,35)(H2,28,29,30,36)/t13-,14+,16+,17-,19?,22-/m0/s1.
What are the key properties of N-[3-[[(2R,4S)-4-hydroxy-1-[(2S,3R)-3-methoxy-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-oxooxolane-2-carboxamide?
N-[3-[[(2R,4S)-4-hydroxy-1-[(2S,3R)-3-methoxy-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-oxooxolane-2-carboxamide has a molecular weight of 544.61 g/mol, XLogP of -0.16, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R,4S)-4-hydroxy-1-[(2S,3R)-3-methoxy-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-oxooxolane-2-carboxamide is sourced from PubChem (CID 58491906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).