(3-methyloxetan-3-yl) 6-[2-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

C20H24N4O4 — CID 162501916

IUPAC(3-methyloxetan-3-yl) 6-[2-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC1(OC(=O)N2CC3C(CCNC(=O)c4cc5cnccc5[nH]4)C3C2)COC1
InChIInChI=1S/C20H24N4O4/c1-20(10-27-11-20)28-19(26)24-8-14-13(15(14)9-24)2-5-22-18(25)17-6-12-7-21-4-3-16(12)23-17/h3-4,6-7,13-15,23H,2,5,8-11H2,1H3,(H,22,25)
InChIKeyQBKMVQUMWRBKQT-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.79
Rot. Bonds5

About (3-methyloxetan-3-yl) 6-[2-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

(3-methyloxetan-3-yl) 6-[2-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 162501916) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is (3-methyloxetan-3-yl) 6-[2-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Name(3-methyloxetan-3-yl) 6-[2-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID162501916
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name(3-methyloxetan-3-yl) 6-[2-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC1(OC(=O)N2CC3C(CCNC(=O)c4cc5cnccc5[nH]4)C3C2)COC1
InChIInChI=1S/C20H24N4O4/c1-20(10-27-11-20)28-19(26)24-8-14-13(15(14)9-24)2-5-22-18(25)17-6-12-7-21-4-3-16(12)23-17/h3-4,6-7,13-15,23H,2,5,8-11H2,1H3,(H,22,25)
InChIKeyQBKMVQUMWRBKQT-UHFFFAOYSA-N
XLogP1.79
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3-methyloxetan-3-yl) 6-[2-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methyloxetan-3-yl) 6-[2-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of (3-methyloxetan-3-yl) 6-[2-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 162501916) is (3-methyloxetan-3-yl) 6-[2-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for (3-methyloxetan-3-yl) 6-[2-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for (3-methyloxetan-3-yl) 6-[2-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate is CC1(OC(=O)N2CC3C(CCNC(=O)c4cc5cnccc5[nH]4)C3C2)COC1.
What is the InChIKey of (3-methyloxetan-3-yl) 6-[2-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is QBKMVQUMWRBKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-20(10-27-11-20)28-19(26)24-8-14-13(15(14)9-24)2-5-22-18(25)17-6-12-7-21-4-3-16(12)23-17/h3-4,6-7,13-15,23H,2,5,8-11H2,1H3,(H,22,25).
What are the key properties of (3-methyloxetan-3-yl) 6-[2-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
(3-methyloxetan-3-yl) 6-[2-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxetan-3-yl) 6-[2-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 162501916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).