5-[5-methyl-5-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)-1-propan-2-yl-4H-pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

C23H32F3N5O — CID 123286068

IUPAC5-[5-methyl-5-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)-1-propan-2-yl-4H-pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)N1N=C(c2cnc(N)c(C(F)(F)F)c2)CC1(C)C1C2CC(N3CCOCC3)CC21
InChIInChI=1S/C23H32F3N5O/c1-13(2)31-22(3,20-16-9-15(10-17(16)20)30-4-6-32-7-5-30)11-19(29-31)14-8-18(23(24,25)26)21(27)28-12-14/h8,12-13,15-17,20H,4-7,9-11H2,1-3H3,(H2,27,28)
InChIKeyMILVQRNFWCUXQE-UHFFFAOYSA-N
MW451.54 g/mol
LogP3.62
Rot. Bonds4

About 5-[5-methyl-5-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)-1-propan-2-yl-4H-pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[5-methyl-5-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)-1-propan-2-yl-4H-pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 123286068) has the molecular formula C23H32F3N5O and a molecular weight of 451.54 g/mol. Its IUPAC name is 5-[5-methyl-5-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)-1-propan-2-yl-4H-pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[5-methyl-5-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)-1-propan-2-yl-4H-pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID123286068
Molecular FormulaC23H32F3N5O
Molecular Weight451.54 g/mol
Exact Mass451.26
IUPAC Name5-[5-methyl-5-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)-1-propan-2-yl-4H-pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)N1N=C(c2cnc(N)c(C(F)(F)F)c2)CC1(C)C1C2CC(N3CCOCC3)CC21
InChIInChI=1S/C23H32F3N5O/c1-13(2)31-22(3,20-16-9-15(10-17(16)20)30-4-6-32-7-5-30)11-19(29-31)14-8-18(23(24,25)26)21(27)28-12-14/h8,12-13,15-17,20H,4-7,9-11H2,1-3H3,(H2,27,28)
InChIKeyMILVQRNFWCUXQE-UHFFFAOYSA-N
XLogP3.62
TPSA66.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[5-methyl-5-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)-1-propan-2-yl-4H-pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-methyl-5-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)-1-propan-2-yl-4H-pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[5-methyl-5-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)-1-propan-2-yl-4H-pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 123286068) is 5-[5-methyl-5-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)-1-propan-2-yl-4H-pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[5-methyl-5-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)-1-propan-2-yl-4H-pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[5-methyl-5-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)-1-propan-2-yl-4H-pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is CC(C)N1N=C(c2cnc(N)c(C(F)(F)F)c2)CC1(C)C1C2CC(N3CCOCC3)CC21.
What is the InChIKey of 5-[5-methyl-5-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)-1-propan-2-yl-4H-pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MILVQRNFWCUXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F3N5O/c1-13(2)31-22(3,20-16-9-15(10-17(16)20)30-4-6-32-7-5-30)11-19(29-31)14-8-18(23(24,25)26)21(27)28-12-14/h8,12-13,15-17,20H,4-7,9-11H2,1-3H3,(H2,27,28).
What are the key properties of 5-[5-methyl-5-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)-1-propan-2-yl-4H-pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[5-methyl-5-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)-1-propan-2-yl-4H-pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 451.54 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methyl-5-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)-1-propan-2-yl-4H-pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 123286068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).