5-[1-[(1-methylcyclopropyl)methyl]-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

C22H26F3N5O — CID 90292688

IUPAC5-[1-[(1-methylcyclopropyl)methyl]-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC1(Cn2nc(-c3cnc(N)c(C(F)(F)F)c3)cc2C2[C@H]3CN(C4COC4)C[C@@H]23)CC1
InChIInChI=1S/C22H26F3N5O/c1-21(2-3-21)11-30-18(19-14-7-29(8-15(14)19)13-9-31-10-13)5-17(28-30)12-4-16(22(23,24)25)20(26)27-6-12/h4-6,13-15,19H,2-3,7-11H2,1H3,(H2,26,27)/t14-,15+,19?
InChIKeyPZNAGZYUVSTZKN-RTHVDDQRSA-N
MW433.48 g/mol
LogP3.39
Rot. Bonds5

About 5-[1-[(1-methylcyclopropyl)methyl]-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[1-[(1-methylcyclopropyl)methyl]-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 90292688) has the molecular formula C22H26F3N5O and a molecular weight of 433.48 g/mol. Its IUPAC name is 5-[1-[(1-methylcyclopropyl)methyl]-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-[(1-methylcyclopropyl)methyl]-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID90292688
Molecular FormulaC22H26F3N5O
Molecular Weight433.48 g/mol
Exact Mass433.21
IUPAC Name5-[1-[(1-methylcyclopropyl)methyl]-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC1(Cn2nc(-c3cnc(N)c(C(F)(F)F)c3)cc2C2[C@H]3CN(C4COC4)C[C@@H]23)CC1
InChIInChI=1S/C22H26F3N5O/c1-21(2-3-21)11-30-18(19-14-7-29(8-15(14)19)13-9-31-10-13)5-17(28-30)12-4-16(22(23,24)25)20(26)27-6-12/h4-6,13-15,19H,2-3,7-11H2,1H3,(H2,26,27)/t14-,15+,19?
InChIKeyPZNAGZYUVSTZKN-RTHVDDQRSA-N
XLogP3.39
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[1-[(1-methylcyclopropyl)methyl]-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-methylcyclopropyl)methyl]-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[1-[(1-methylcyclopropyl)methyl]-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 90292688) is 5-[1-[(1-methylcyclopropyl)methyl]-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[1-[(1-methylcyclopropyl)methyl]-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[1-[(1-methylcyclopropyl)methyl]-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is CC1(Cn2nc(-c3cnc(N)c(C(F)(F)F)c3)cc2C2[C@H]3CN(C4COC4)C[C@@H]23)CC1.
What is the InChIKey of 5-[1-[(1-methylcyclopropyl)methyl]-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PZNAGZYUVSTZKN-RTHVDDQRSA-N. The full InChI is InChI=1S/C22H26F3N5O/c1-21(2-3-21)11-30-18(19-14-7-29(8-15(14)19)13-9-31-10-13)5-17(28-30)12-4-16(22(23,24)25)20(26)27-6-12/h4-6,13-15,19H,2-3,7-11H2,1H3,(H2,26,27)/t14-,15+,19?.
What are the key properties of 5-[1-[(1-methylcyclopropyl)methyl]-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[1-[(1-methylcyclopropyl)methyl]-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 433.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-methylcyclopropyl)methyl]-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 90292688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).