[6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone

C23H24F3N7O — CID 73352183

IUPAC[6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
SMILESCc1cnn(-c2ccc(C)nc2C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CNc2ncc(C(F)(F)F)cn2)c1
InChIInChI=1S/C23H24F3N7O/c1-13-7-30-33(11-13)19-4-3-14(2)31-20(19)21(34)32-12-16-5-15(16)6-18(32)10-29-22-27-8-17(9-28-22)23(24,25)26/h3-4,7-9,11,15-16,18H,5-6,10,12H2,1-2H3,(H,27,28,29)/t15-,16+,18+/m1/s1
InChIKeyYVAKGUIISMOEKF-RYRKJORJSA-N
MW471.49 g/mol
LogP3.66
Rot. Bonds5

About [6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone

[6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone (PubChem CID 73352183) has the molecular formula C23H24F3N7O and a molecular weight of 471.49 g/mol. Its IUPAC name is [6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone.

Molecular Properties

Compound Name[6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
PubChem CID73352183
Molecular FormulaC23H24F3N7O
Molecular Weight471.49 g/mol
Exact Mass471.20
IUPAC Name[6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
SMILESCc1cnn(-c2ccc(C)nc2C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CNc2ncc(C(F)(F)F)cn2)c1
InChIInChI=1S/C23H24F3N7O/c1-13-7-30-33(11-13)19-4-3-14(2)31-20(19)21(34)32-12-16-5-15(16)6-18(32)10-29-22-27-8-17(9-28-22)23(24,25)26/h3-4,7-9,11,15-16,18H,5-6,10,12H2,1-2H3,(H,27,28,29)/t15-,16+,18+/m1/s1
InChIKeyYVAKGUIISMOEKF-RYRKJORJSA-N
XLogP3.66
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
The IUPAC name of [6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone (CID 73352183) is [6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone.
What is the SMILES notation for [6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
The canonical SMILES for [6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone is Cc1cnn(-c2ccc(C)nc2C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CNc2ncc(C(F)(F)F)cn2)c1.
What is the InChIKey of [6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
The InChIKey is YVAKGUIISMOEKF-RYRKJORJSA-N. The full InChI is InChI=1S/C23H24F3N7O/c1-13-7-30-33(11-13)19-4-3-14(2)31-20(19)21(34)32-12-16-5-15(16)6-18(32)10-29-22-27-8-17(9-28-22)23(24,25)26/h3-4,7-9,11,15-16,18H,5-6,10,12H2,1-2H3,(H,27,28,29)/t15-,16+,18+/m1/s1.
What are the key properties of [6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone?
[6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone has a molecular weight of 471.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone is sourced from PubChem (CID 73352183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).