4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]-N-methylbenzamide

C24H20F2N4O4 — CID 6481658

IUPAC4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Oc2ccc(NC(=O)N[C@@H]3[C@@H]4COc5c(F)ccc(F)c5[C@@H]43)nc2)cc1
InChIInChI=1S/C24H20F2N4O4/c1-27-23(31)12-2-4-13(5-3-12)34-14-6-9-18(28-10-14)29-24(32)30-21-15-11-33-22-17(26)8-7-16(25)20(22)19(15)21/h2-10,15,19,21H,11H2,1H3,(H,27,31)(H2,28,29,30,32)/t15-,19-,21-/m1/s1
InChIKeyFRIKLQLNWWUTKN-QFIXIFRTSA-N
MW466.44 g/mol
LogP3.81
Rot. Bonds5

About 4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]-N-methylbenzamide

4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]-N-methylbenzamide (PubChem CID 6481658) has the molecular formula C24H20F2N4O4 and a molecular weight of 466.44 g/mol. Its IUPAC name is 4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]-N-methylbenzamide
PubChem CID6481658
Molecular FormulaC24H20F2N4O4
Molecular Weight466.44 g/mol
Exact Mass466.15
IUPAC Name4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Oc2ccc(NC(=O)N[C@@H]3[C@@H]4COc5c(F)ccc(F)c5[C@@H]43)nc2)cc1
InChIInChI=1S/C24H20F2N4O4/c1-27-23(31)12-2-4-13(5-3-12)34-14-6-9-18(28-10-14)29-24(32)30-21-15-11-33-22-17(26)8-7-16(25)20(22)19(15)21/h2-10,15,19,21H,11H2,1H3,(H,27,31)(H2,28,29,30,32)/t15-,19-,21-/m1/s1
InChIKeyFRIKLQLNWWUTKN-QFIXIFRTSA-N
XLogP3.81
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.44
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]-N-methylbenzamide 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 4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]-N-methylbenzamide?
The IUPAC name of 4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]-N-methylbenzamide (CID 6481658) is 4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]-N-methylbenzamide.
What is the SMILES notation for 4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]-N-methylbenzamide?
The canonical SMILES for 4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]-N-methylbenzamide is CNC(=O)c1ccc(Oc2ccc(NC(=O)N[C@@H]3[C@@H]4COc5c(F)ccc(F)c5[C@@H]43)nc2)cc1.
What is the InChIKey of 4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]-N-methylbenzamide?
The InChIKey is FRIKLQLNWWUTKN-QFIXIFRTSA-N. The full InChI is InChI=1S/C24H20F2N4O4/c1-27-23(31)12-2-4-13(5-3-12)34-14-6-9-18(28-10-14)29-24(32)30-21-15-11-33-22-17(26)8-7-16(25)20(22)19(15)21/h2-10,15,19,21H,11H2,1H3,(H,27,31)(H2,28,29,30,32)/t15-,19-,21-/m1/s1.
What are the key properties of 4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]-N-methylbenzamide?
4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]-N-methylbenzamide has a molecular weight of 466.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridinyl]oxy]-N-methylbenzamide is sourced from PubChem (CID 6481658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).