N-[[(3S,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid

C21H27F3N6O4 — CID 155836152

IUPACN-[[(3S,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)c1cc(N2C[C@@H]3[C@@H](CNC(=O)c4cccn4C)CO[C@@H]3C2)ncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H26N6O2.C2HF3O2/c1-23(2)17-7-18(22-12-21-17)25-9-14-13(11-27-16(14)10-25)8-20-19(26)15-5-4-6-24(15)3;3-2(4,5)1(6)7/h4-7,12-14,16H,8-11H2,1-3H3,(H,20,26);(H,6,7)/t13-,14+,16+;/m0./s1
InChIKeyLUOWVGAZVIOIAP-YJUBXGJFSA-N
MW484.48 g/mol
LogP1.40
Rot. Bonds5

About N-[[(3S,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid

N-[[(3S,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155836152) has the molecular formula C21H27F3N6O4 and a molecular weight of 484.48 g/mol. Its IUPAC name is N-[[(3S,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[(3S,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155836152
Molecular FormulaC21H27F3N6O4
Molecular Weight484.48 g/mol
Exact Mass484.20
IUPAC NameN-[[(3S,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)c1cc(N2C[C@@H]3[C@@H](CNC(=O)c4cccn4C)CO[C@@H]3C2)ncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H26N6O2.C2HF3O2/c1-23(2)17-7-18(22-12-21-17)25-9-14-13(11-27-16(14)10-25)8-20-19(26)15-5-4-6-24(15)3;3-2(4,5)1(6)7/h4-7,12-14,16H,8-11H2,1-3H3,(H,20,26);(H,6,7)/t13-,14+,16+;/m0./s1
InChIKeyLUOWVGAZVIOIAP-YJUBXGJFSA-N
XLogP1.40
TPSA112.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[(3S,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxypropyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
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1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(2-hydroxyethyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118743287
1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118743772
N-[8-[(1-methylimidazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118744311
1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118744755
N-[2-(dimethylamino)ethyl]-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118745018
N-(2-cyanoethyl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118745019
N-(3-methoxypropyl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118745020
N-[2-(dimethylamino)ethyl]-1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118745396
N-(2-hydroxyethyl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118745400
6-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-2-[4-(trifluoromethyl)imidazol-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one;2,2,2-trifluoroacetic acid
CID 177904760
N-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 97420666

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[(3S,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155836152) is N-[[(3S,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[(3S,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[(3S,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid is CN(C)c1cc(N2C[C@@H]3[C@@H](CNC(=O)c4cccn4C)CO[C@@H]3C2)ncn1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[(3S,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is LUOWVGAZVIOIAP-YJUBXGJFSA-N. The full InChI is InChI=1S/C19H26N6O2.C2HF3O2/c1-23(2)17-7-18(22-12-21-17)25-9-14-13(11-27-16(14)10-25)8-20-19(26)15-5-4-6-24(15)3;3-2(4,5)1(6)7/h4-7,12-14,16H,8-11H2,1-3H3,(H,20,26);(H,6,7)/t13-,14+,16+;/m0./s1.
What are the key properties of N-[[(3S,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
N-[[(3S,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 484.48 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155836152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).