N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide

C24H31FN6O2 — CID 135375759

IUPACN-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(F)c(N5CCCC5)c4)CC3C2)c1
InChIInChI=1S/C24H31FN6O2/c1-17(32)27(2)21-10-26-31(16-21)24(33)30-14-19-12-28(13-20(19)15-30)11-18-5-6-22(25)23(9-18)29-7-3-4-8-29/h5-6,9-10,16,19-20H,3-4,7-8,11-15H2,1-2H3
InChIKeyCYKPJSRTMVELGJ-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.64
Rot. Bonds4

About N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide

N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide (PubChem CID 135375759) has the molecular formula C24H31FN6O2 and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide
PubChem CID135375759
Molecular FormulaC24H31FN6O2
Molecular Weight454.55 g/mol
Exact Mass454.25
IUPAC NameN-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(F)c(N5CCCC5)c4)CC3C2)c1
InChIInChI=1S/C24H31FN6O2/c1-17(32)27(2)21-10-26-31(16-21)24(33)30-14-19-12-28(13-20(19)15-30)11-18-5-6-22(25)23(9-18)29-7-3-4-8-29/h5-6,9-10,16,19-20H,3-4,7-8,11-15H2,1-2H3
InChIKeyCYKPJSRTMVELGJ-UHFFFAOYSA-N
XLogP2.64
TPSA64.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide with MolForge

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Related Compounds

US10689345, Example 245
CID 122590857
US10323038, Example 116
CID 135375447
US10323038, Example 64
CID 135375499
US10323038, Example 14
CID 135375500
US10323038, Example 191
CID 135375584
US10323038, Example 279
CID 135375595
US10323038, Example 98
CID 135375605
US10323038, Example 182
CID 135375618
US10323038, Example 122
CID 135375641
US10323038, Example 58
CID 135375662
US10323038, Example 178
CID 135375665
US10323038, Example 180
CID 135375667

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide (CID 135375759) is N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide is CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(F)c(N5CCCC5)c4)CC3C2)c1.
What is the InChIKey of N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The InChIKey is CYKPJSRTMVELGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O2/c1-17(32)27(2)21-10-26-31(16-21)24(33)30-14-19-12-28(13-20(19)15-30)11-18-5-6-22(25)23(9-18)29-7-3-4-8-29/h5-6,9-10,16,19-20H,3-4,7-8,11-15H2,1-2H3.
What are the key properties of N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide?
N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide has a molecular weight of 454.55 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 135375759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).