(2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol

C18H29N4O3P — CID 159526008

About (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol

(2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol (PubChem CID 159526008) has the molecular formula C18H29N4O3P and a molecular weight of 380.43 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol
• PubChem CID: 159526008
• Molecular Formula: C18H29N4O3P
• Molecular Weight: 380.43 g/mol
• Exact Mass: 380.20
• IUPAC Name: (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol
• SMILES: C=P(C)(C)CC(C)[C@H]1O[C@@H](n2c(CC)nc3c(N)ccnc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C18H29N4O3P/c1-6-12-21-13-11(19)7-8-20-17(13)22(12)18-15(24)14(23)16(25-18)10(2)9-26(3,4)5/h7-8,10,14-16,18,23-24H,3,6,9H2,1-2,4-5H3,(H2,19,20)/t10?,14-,15+,16+,18+/m0/s1
• InChIKey: FWNSCBZJXJNIEY-HJGREZGXSA-N
• XLogP: 1.54
• TPSA: 106.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.43
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol?

The IUPAC name of (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol (CID 159526008) is (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol.

What is the SMILES notation for (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol?

The canonical SMILES for (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol is C=P(C)(C)CC(C)[C@H]1O[C@@H](n2c(CC)nc3c(N)ccnc32)[C@H](O)[C@@H]1O.

What is the InChIKey of (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol?

The InChIKey is FWNSCBZJXJNIEY-HJGREZGXSA-N. The full InChI is InChI=1S/C18H29N4O3P/c1-6-12-21-13-11(19)7-8-20-17(13)22(12)18-15(24)14(23)16(25-18)10(2)9-26(3,4)5/h7-8,10,14-16,18,23-24H,3,6,9H2,1-2,4-5H3,(H2,19,20)/t10?,14-,15+,16+,18+/m0/s1.

What are the key properties of (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol?

(2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol has a molecular weight of 380.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R)-2-(7-amino-2-ethylimidazo[4,5-b]pyridin-3-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol is sourced from PubChem (CID 159526008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).