(1aS,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene;[5-(3-fluorophenoxy)-2-pyridinyl]urea

C22H18F3N3O3 — CID 142869305

IUPAC(1aS,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene;[5-(3-fluorophenoxy)-2-pyridinyl]urea
SMILESFc1ccc(F)c2c1OC[C@H]1C[C@@H]21.NC(=O)Nc1ccc(Oc2cccc(F)c2)cn1
InChIInChI=1S/C12H10FN3O2.C10H8F2O/c13-8-2-1-3-9(6-8)18-10-4-5-11(15-7-10)16-12(14)17;11-7-1-2-8(12)10-9(7)6-3-5(6)4-13-10/h1-7H,(H3,14,15,16,17);1-2,5-6H,3-4H2/t;5-,6-/m.1/s1
InChIKeySLPUXMBTHMHEON-PZMDUNNRSA-N
MW429.40 g/mol
LogP4.96
Rot. Bonds3

About (1aS,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene;[5-(3-fluorophenoxy)-2-pyridinyl]urea

(1aS,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene;[5-(3-fluorophenoxy)-2-pyridinyl]urea (PubChem CID 142869305) has the molecular formula C22H18F3N3O3 and a molecular weight of 429.40 g/mol. Its IUPAC name is (1aS,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene;[5-(3-fluorophenoxy)-2-pyridinyl]urea.

Molecular Properties

Compound Name(1aS,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene;[5-(3-fluorophenoxy)-2-pyridinyl]urea
PubChem CID142869305
Molecular FormulaC22H18F3N3O3
Molecular Weight429.40 g/mol
Exact Mass429.13
IUPAC Name(1aS,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene;[5-(3-fluorophenoxy)-2-pyridinyl]urea
SMILESFc1ccc(F)c2c1OC[C@H]1C[C@@H]21.NC(=O)Nc1ccc(Oc2cccc(F)c2)cn1
InChIInChI=1S/C12H10FN3O2.C10H8F2O/c13-8-2-1-3-9(6-8)18-10-4-5-11(15-7-10)16-12(14)17;11-7-1-2-8(12)10-9(7)6-3-5(6)4-13-10/h1-7H,(H3,14,15,16,17);1-2,5-6H,3-4H2/t;5-,6-/m.1/s1
InChIKeySLPUXMBTHMHEON-PZMDUNNRSA-N
XLogP4.96
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1aS,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene;[5-(3-fluorophenoxy)-2-pyridinyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-[5-(3-chlorophenoxy)-2-pyridinyl]-3-(4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl)urea
CID 10072122
1-[(1aS,7bS)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-3-(5-pyridin-4-yloxy-2-pyridinyl)urea
CID 69056223
1-[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-3-[5-(2-fluorophenoxy)-2-pyridinyl]-1-methylurea
CID 71052832
5-[[6-[[(1S,1aS,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]-N-methylpyridine-2-carboxamide
CID 67047980
1-(4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl)-3-[5-[(2-fluoro-3-pyridinyl)oxy]-2-pyridinyl]urea
CID 69057236
N-[5-(3-fluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 139521826
N-[5-(3-fluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139521777
1-[(1aS,7bS)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-3-[5-(2-cyano-3-fluorophenoxy)-2-pyridinyl]urea
CID 69061917
1-[5-[4-(tert-butylsulfamoyl)phenoxy]-2-pyridinyl]-3-[(1S)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]urea
CID 143075354
1-[(1aS,7bS)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-3-[5-[(3-cyano-4-pyridinyl)oxy]-2-pyridinyl]urea
CID 69056657
N-(5-chloro-2-pyridinyl)-2-(3-fluorophenoxy)acetamide
CID 33327531
2-fluoro-5-(3-fluorophenoxy)benzoic acid
CID 170721916

Frequently Asked Questions

What is the IUPAC name of (1aS,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene;[5-(3-fluorophenoxy)-2-pyridinyl]urea?
The IUPAC name of (1aS,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene;[5-(3-fluorophenoxy)-2-pyridinyl]urea (CID 142869305) is (1aS,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene;[5-(3-fluorophenoxy)-2-pyridinyl]urea.
What is the SMILES notation for (1aS,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene;[5-(3-fluorophenoxy)-2-pyridinyl]urea?
The canonical SMILES for (1aS,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene;[5-(3-fluorophenoxy)-2-pyridinyl]urea is Fc1ccc(F)c2c1OC[C@H]1C[C@@H]21.NC(=O)Nc1ccc(Oc2cccc(F)c2)cn1.
What is the InChIKey of (1aS,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene;[5-(3-fluorophenoxy)-2-pyridinyl]urea?
The InChIKey is SLPUXMBTHMHEON-PZMDUNNRSA-N. The full InChI is InChI=1S/C12H10FN3O2.C10H8F2O/c13-8-2-1-3-9(6-8)18-10-4-5-11(15-7-10)16-12(14)17;11-7-1-2-8(12)10-9(7)6-3-5(6)4-13-10/h1-7H,(H3,14,15,16,17);1-2,5-6H,3-4H2/t;5-,6-/m.1/s1.
What are the key properties of (1aS,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene;[5-(3-fluorophenoxy)-2-pyridinyl]urea?
(1aS,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene;[5-(3-fluorophenoxy)-2-pyridinyl]urea has a molecular weight of 429.40 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1aS,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene;[5-(3-fluorophenoxy)-2-pyridinyl]urea is sourced from PubChem (CID 142869305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).