6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(2,3-dihydrofuro[2,3-b]pyridine-4-carboximidoyl)pyrazin-2-amine

C25H26FN7O — CID 164860450

IUPAC6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(2,3-dihydrofuro[2,3-b]pyridine-4-carboximidoyl)pyrazin-2-amine
SMILES[H]/N=C(\c1ccnc2c1CCO2)c1ncc(N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)nc1N
InChIInChI=1S/C25H26FN7O/c26-19-4-2-1-3-17(19)25(13-27)16-6-9-33(12-18(16)25)20-11-31-22(23(29)32-20)21(28)14-5-8-30-24-15(14)7-10-34-24/h1-5,8,11,16,18,28H,6-7,9-10,12-13,27H2,(H2,29,32)/b28-21+/t16-,18+,25-/m1/s1
InChIKeyBTYXKMAWPXTMQR-IOVKIPLZSA-N
MW459.53 g/mol
LogP2.30
Rot. Bonds5

About 6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(2,3-dihydrofuro[2,3-b]pyridine-4-carboximidoyl)pyrazin-2-amine

6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(2,3-dihydrofuro[2,3-b]pyridine-4-carboximidoyl)pyrazin-2-amine (PubChem CID 164860450) has the molecular formula C25H26FN7O and a molecular weight of 459.53 g/mol. Its IUPAC name is 6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(2,3-dihydrofuro[2,3-b]pyridine-4-carboximidoyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(2,3-dihydrofuro[2,3-b]pyridine-4-carboximidoyl)pyrazin-2-amine
PubChem CID164860450
Molecular FormulaC25H26FN7O
Molecular Weight459.53 g/mol
Exact Mass459.22
IUPAC Name6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(2,3-dihydrofuro[2,3-b]pyridine-4-carboximidoyl)pyrazin-2-amine
SMILES[H]/N=C(\c1ccnc2c1CCO2)c1ncc(N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)nc1N
InChIInChI=1S/C25H26FN7O/c26-19-4-2-1-3-17(19)25(13-27)16-6-9-33(12-18(16)25)20-11-31-22(23(29)32-20)21(28)14-5-8-30-24-15(14)7-10-34-24/h1-5,8,11,16,18,28H,6-7,9-10,12-13,27H2,(H2,29,32)/b28-21+/t16-,18+,25-/m1/s1
InChIKeyBTYXKMAWPXTMQR-IOVKIPLZSA-N
XLogP2.30
TPSA127.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(2,3-dihydrofuro[2,3-b]pyridine-4-carboximidoyl)pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(2,3-dihydrofuro[2,3-b]pyridine-4-carboximidoyl)pyrazin-2-amine?
The IUPAC name of 6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(2,3-dihydrofuro[2,3-b]pyridine-4-carboximidoyl)pyrazin-2-amine (CID 164860450) is 6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(2,3-dihydrofuro[2,3-b]pyridine-4-carboximidoyl)pyrazin-2-amine.
What is the SMILES notation for 6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(2,3-dihydrofuro[2,3-b]pyridine-4-carboximidoyl)pyrazin-2-amine?
The canonical SMILES for 6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(2,3-dihydrofuro[2,3-b]pyridine-4-carboximidoyl)pyrazin-2-amine is [H]/N=C(\c1ccnc2c1CCO2)c1ncc(N2CC[C@@H]3[C@H](C2)[C@@]3(CN)c2ccccc2F)nc1N.
What is the InChIKey of 6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(2,3-dihydrofuro[2,3-b]pyridine-4-carboximidoyl)pyrazin-2-amine?
The InChIKey is BTYXKMAWPXTMQR-IOVKIPLZSA-N. The full InChI is InChI=1S/C25H26FN7O/c26-19-4-2-1-3-17(19)25(13-27)16-6-9-33(12-18(16)25)20-11-31-22(23(29)32-20)21(28)14-5-8-30-24-15(14)7-10-34-24/h1-5,8,11,16,18,28H,6-7,9-10,12-13,27H2,(H2,29,32)/b28-21+/t16-,18+,25-/m1/s1.
What are the key properties of 6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(2,3-dihydrofuro[2,3-b]pyridine-4-carboximidoyl)pyrazin-2-amine?
6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(2,3-dihydrofuro[2,3-b]pyridine-4-carboximidoyl)pyrazin-2-amine has a molecular weight of 459.53 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(2,3-dihydrofuro[2,3-b]pyridine-4-carboximidoyl)pyrazin-2-amine is sourced from PubChem (CID 164860450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).