(1S,5R)-3-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine

C17H20N4O2 — CID 66970716

IUPAC(1S,5R)-3-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCOc1ccc2ncc3c(c2n1)C(CN1C[C@@H]2C(N)[C@@H]2C1)CO3
InChIInChI=1S/C17H20N4O2/c1-22-14-3-2-12-17(20-14)15-9(8-23-13(15)4-19-12)5-21-6-10-11(7-21)16(10)18/h2-4,9-11,16H,5-8,18H2,1H3/t9?,10-,11+,16?
InChIKeyKYRPOSHHNUMPRQ-WWWQPRNBSA-N
MW312.37 g/mol
LogP1.00
Rot. Bonds3

About (1S,5R)-3-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine

(1S,5R)-3-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 66970716) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (1S,5R)-3-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name(1S,5R)-3-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID66970716
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(1S,5R)-3-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCOc1ccc2ncc3c(c2n1)C(CN1C[C@@H]2C(N)[C@@H]2C1)CO3
InChIInChI=1S/C17H20N4O2/c1-22-14-3-2-12-17(20-14)15-9(8-23-13(15)4-19-12)5-21-6-10-11(7-21)16(10)18/h2-4,9-11,16H,5-8,18H2,1H3/t9?,10-,11+,16?
InChIKeyKYRPOSHHNUMPRQ-WWWQPRNBSA-N
XLogP1.00
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S,5R)-3-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of (1S,5R)-3-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine (CID 66970716) is (1S,5R)-3-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for (1S,5R)-3-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for (1S,5R)-3-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine is COc1ccc2ncc3c(c2n1)C(CN1C[C@@H]2C(N)[C@@H]2C1)CO3.
What is the InChIKey of (1S,5R)-3-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is KYRPOSHHNUMPRQ-WWWQPRNBSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-22-14-3-2-12-17(20-14)15-9(8-23-13(15)4-19-12)5-21-6-10-11(7-21)16(10)18/h2-4,9-11,16H,5-8,18H2,1H3/t9?,10-,11+,16?.
What are the key properties of (1S,5R)-3-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine?
(1S,5R)-3-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 312.37 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 66970716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).