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

C20H26F3N7O4 — CID 155837162

IUPACN-[[(3R,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)c1cc(N2C[C@@H]3[C@H](CNC(=O)c4ccnn4C)CO[C@@H]3C2)ncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N7O2.C2HF3O2/c1-23(2)16-6-17(21-11-20-16)25-8-13-12(10-27-15(13)9-25)7-19-18(26)14-4-5-22-24(14)3;3-2(4,5)1(6)7/h4-6,11-13,15H,7-10H2,1-3H3,(H,19,26);(H,6,7)/t12-,13-,15-;/m1./s1
InChIKeyJXAFBSMEOSLGBZ-VJKSBRAMSA-N
MW485.47 g/mol
LogP0.79
Rot. Bonds5

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

N-[[(3R,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155837162) has the molecular formula C20H26F3N7O4 and a molecular weight of 485.47 g/mol. Its IUPAC name is N-[[(3R,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[(3R,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155837162
Molecular FormulaC20H26F3N7O4
Molecular Weight485.47 g/mol
Exact Mass485.20
IUPAC NameN-[[(3R,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)c1cc(N2C[C@@H]3[C@H](CNC(=O)c4ccnn4C)CO[C@@H]3C2)ncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N7O2.C2HF3O2/c1-23(2)16-6-17(21-11-20-16)25-8-13-12(10-27-15(13)9-25)7-19-18(26)14-4-5-22-24(14)3;3-2(4,5)1(6)7/h4-6,11-13,15H,7-10H2,1-3H3,(H,19,26);(H,6,7)/t12-,13-,15-;/m1./s1
InChIKeyJXAFBSMEOSLGBZ-VJKSBRAMSA-N
XLogP0.79
TPSA125.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

N-[[(3S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 124246571
N-[2-[(8R)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 124810780
N-[2-[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 124810782
N-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 124812899
N-[[(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 124812901
N-[2-[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 133136972
N-[[(2S,4S)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 146115647
N-[[(3R,3aS,6aS)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridazine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155824861
(2-Ethyl-5-methylpyrazol-3-yl)-[7-[(pyrimidin-2-ylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155826324
N-[[(3R,3aS,6aS)-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155835038
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
N-[2-[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-2-methylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155837140

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[(3R,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid (CID 155837162) is N-[[(3R,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[(3R,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[(3R,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid is CN(C)c1cc(N2C[C@@H]3[C@H](CNC(=O)c4ccnn4C)CO[C@@H]3C2)ncn1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[(3R,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JXAFBSMEOSLGBZ-VJKSBRAMSA-N. The full InChI is InChI=1S/C18H25N7O2.C2HF3O2/c1-23(2)16-6-17(21-11-20-16)25-8-13-12(10-27-15(13)9-25)7-19-18(26)14-4-5-22-24(14)3;3-2(4,5)1(6)7/h4-6,11-13,15H,7-10H2,1-3H3,(H,19,26);(H,6,7)/t12-,13-,15-;/m1./s1.
What are the key properties of N-[[(3R,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
N-[[(3R,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 485.47 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,3aS,6aS)-5-[6-(dimethylamino)pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155837162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).