2-[(2R,4R)-2-(hydroxymethyl)-4-[[2-(2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]amino]cyclopentyl]oxypropan-2-ol

C23H28N2O5 — CID 167473189

IUPAC2-[(2R,4R)-2-(hydroxymethyl)-4-[[2-(2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]amino]cyclopentyl]oxypropan-2-ol
SMILESCOc1ccccc1-c1cc2nccc(N[C@H]3CC(OC(C)(C)O)[C@@H](CO)C3)c2o1
InChIInChI=1S/C23H28N2O5/c1-23(2,27)30-20-11-15(10-14(20)13-26)25-17-8-9-24-18-12-21(29-22(17)18)16-6-4-5-7-19(16)28-3/h4-9,12,14-15,20,26-27H,10-11,13H2,1-3H3,(H,24,25)/t14-,15-,20?/m1/s1
InChIKeyMHJZYWLNKHGGNP-YNCRUDOASA-N
MW412.49 g/mol
LogP3.80
Rot. Bonds7

About 2-[(2R,4R)-2-(hydroxymethyl)-4-[[2-(2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]amino]cyclopentyl]oxypropan-2-ol

2-[(2R,4R)-2-(hydroxymethyl)-4-[[2-(2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]amino]cyclopentyl]oxypropan-2-ol (PubChem CID 167473189) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[(2R,4R)-2-(hydroxymethyl)-4-[[2-(2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]amino]cyclopentyl]oxypropan-2-ol.

Molecular Properties

Compound Name2-[(2R,4R)-2-(hydroxymethyl)-4-[[2-(2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]amino]cyclopentyl]oxypropan-2-ol
PubChem CID167473189
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name2-[(2R,4R)-2-(hydroxymethyl)-4-[[2-(2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]amino]cyclopentyl]oxypropan-2-ol
SMILESCOc1ccccc1-c1cc2nccc(N[C@H]3CC(OC(C)(C)O)[C@@H](CO)C3)c2o1
InChIInChI=1S/C23H28N2O5/c1-23(2,27)30-20-11-15(10-14(20)13-26)25-17-8-9-24-18-12-21(29-22(17)18)16-6-4-5-7-19(16)28-3/h4-9,12,14-15,20,26-27H,10-11,13H2,1-3H3,(H,24,25)/t14-,15-,20?/m1/s1
InChIKeyMHJZYWLNKHGGNP-YNCRUDOASA-N
XLogP3.80
TPSA96.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-2-(hydroxymethyl)-4-[[2-(2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]amino]cyclopentyl]oxypropan-2-ol?
The IUPAC name of 2-[(2R,4R)-2-(hydroxymethyl)-4-[[2-(2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]amino]cyclopentyl]oxypropan-2-ol (CID 167473189) is 2-[(2R,4R)-2-(hydroxymethyl)-4-[[2-(2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]amino]cyclopentyl]oxypropan-2-ol.
What is the SMILES notation for 2-[(2R,4R)-2-(hydroxymethyl)-4-[[2-(2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]amino]cyclopentyl]oxypropan-2-ol?
The canonical SMILES for 2-[(2R,4R)-2-(hydroxymethyl)-4-[[2-(2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]amino]cyclopentyl]oxypropan-2-ol is COc1ccccc1-c1cc2nccc(N[C@H]3CC(OC(C)(C)O)[C@@H](CO)C3)c2o1.
What is the InChIKey of 2-[(2R,4R)-2-(hydroxymethyl)-4-[[2-(2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]amino]cyclopentyl]oxypropan-2-ol?
The InChIKey is MHJZYWLNKHGGNP-YNCRUDOASA-N. The full InChI is InChI=1S/C23H28N2O5/c1-23(2,27)30-20-11-15(10-14(20)13-26)25-17-8-9-24-18-12-21(29-22(17)18)16-6-4-5-7-19(16)28-3/h4-9,12,14-15,20,26-27H,10-11,13H2,1-3H3,(H,24,25)/t14-,15-,20?/m1/s1.
What are the key properties of 2-[(2R,4R)-2-(hydroxymethyl)-4-[[2-(2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]amino]cyclopentyl]oxypropan-2-ol?
2-[(2R,4R)-2-(hydroxymethyl)-4-[[2-(2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]amino]cyclopentyl]oxypropan-2-ol has a molecular weight of 412.49 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-2-(hydroxymethyl)-4-[[2-(2-methoxyphenyl)furo[3,2-b]pyridin-7-yl]amino]cyclopentyl]oxypropan-2-ol is sourced from PubChem (CID 167473189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).