(1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-(2-methoxy-4-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one

C18H18N4O2 — CID 66576971

IUPAC(1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-(2-methoxy-4-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one
SMILESCOc1cc(N2C(=O)N(c3cnccc3C3CC3)[C@@H]3C[C@@H]32)ccn1
InChIInChI=1S/C18H18N4O2/c1-24-17-8-12(4-7-20-17)21-14-9-15(14)22(18(21)23)16-10-19-6-5-13(16)11-2-3-11/h4-8,10-11,14-15H,2-3,9H2,1H3/t14-,15+/m0/s1
InChIKeyVOGNHKHDXUUQDJ-LSDHHAIUSA-N
MW322.37 g/mol
LogP2.95
Rot. Bonds4

About (1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-(2-methoxy-4-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one

(1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-(2-methoxy-4-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one (PubChem CID 66576971) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is (1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-(2-methoxy-4-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Name(1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-(2-methoxy-4-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one
PubChem CID66576971
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name(1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-(2-methoxy-4-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one
SMILESCOc1cc(N2C(=O)N(c3cnccc3C3CC3)[C@@H]3C[C@@H]32)ccn1
InChIInChI=1S/C18H18N4O2/c1-24-17-8-12(4-7-20-17)21-14-9-15(14)22(18(21)23)16-10-19-6-5-13(16)11-2-3-11/h4-8,10-11,14-15H,2-3,9H2,1H3/t14-,15+/m0/s1
InChIKeyVOGNHKHDXUUQDJ-LSDHHAIUSA-N
XLogP2.95
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-(2-methoxy-4-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one?
The IUPAC name of (1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-(2-methoxy-4-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one (CID 66576971) is (1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-(2-methoxy-4-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one.
What is the SMILES notation for (1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-(2-methoxy-4-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one?
The canonical SMILES for (1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-(2-methoxy-4-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one is COc1cc(N2C(=O)N(c3cnccc3C3CC3)[C@@H]3C[C@@H]32)ccn1.
What is the InChIKey of (1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-(2-methoxy-4-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one?
The InChIKey is VOGNHKHDXUUQDJ-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-17-8-12(4-7-20-17)21-14-9-15(14)22(18(21)23)16-10-19-6-5-13(16)11-2-3-11/h4-8,10-11,14-15H,2-3,9H2,1H3/t14-,15+/m0/s1.
What are the key properties of (1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-(2-methoxy-4-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one?
(1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-(2-methoxy-4-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one has a molecular weight of 322.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-2-(4-cyclopropyl-3-pyridinyl)-4-(2-methoxy-4-pyridinyl)-2,4-diazabicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 66576971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).