5-[5-[(5S,6S)-3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

C24H30F3N5O — CID 154971519

IUPAC5-[5-[(5S,6S)-3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCOC1CCN(C2C=C3[C@@H](C2)[C@@H]3c2cc(-c3cnc(N)c(C(F)(F)F)c3)nn2C(C)C)CC1
InChIInChI=1S/C24H30F3N5O/c1-13(2)32-21(11-20(30-32)14-8-19(24(25,26)27)23(28)29-12-14)22-17-9-15(10-18(17)22)31-6-4-16(33-3)5-7-31/h8-9,11-13,15-16,18,22H,4-7,10H2,1-3H3,(H2,28,29)/t15?,18-,22-/m1/s1
InChIKeySLDHIYSCWOBVDW-HOQNBJKYSA-N
MW461.53 g/mol
LogP4.65
Rot. Bonds5

About 5-[5-[(5S,6S)-3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[5-[(5S,6S)-3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 154971519) has the molecular formula C24H30F3N5O and a molecular weight of 461.53 g/mol. Its IUPAC name is 5-[5-[(5S,6S)-3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[5-[(5S,6S)-3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID154971519
Molecular FormulaC24H30F3N5O
Molecular Weight461.53 g/mol
Exact Mass461.24
IUPAC Name5-[5-[(5S,6S)-3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCOC1CCN(C2C=C3[C@@H](C2)[C@@H]3c2cc(-c3cnc(N)c(C(F)(F)F)c3)nn2C(C)C)CC1
InChIInChI=1S/C24H30F3N5O/c1-13(2)32-21(11-20(30-32)14-8-19(24(25,26)27)23(28)29-12-14)22-17-9-15(10-18(17)22)31-6-4-16(33-3)5-7-31/h8-9,11-13,15-16,18,22H,4-7,10H2,1-3H3,(H2,28,29)/t15?,18-,22-/m1/s1
InChIKeySLDHIYSCWOBVDW-HOQNBJKYSA-N
XLogP4.65
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[5-[(5S,6S)-3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(5S,6S)-3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[5-[(5S,6S)-3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 154971519) is 5-[5-[(5S,6S)-3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[5-[(5S,6S)-3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[5-[(5S,6S)-3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is COC1CCN(C2C=C3[C@@H](C2)[C@@H]3c2cc(-c3cnc(N)c(C(F)(F)F)c3)nn2C(C)C)CC1.
What is the InChIKey of 5-[5-[(5S,6S)-3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SLDHIYSCWOBVDW-HOQNBJKYSA-N. The full InChI is InChI=1S/C24H30F3N5O/c1-13(2)32-21(11-20(30-32)14-8-19(24(25,26)27)23(28)29-12-14)22-17-9-15(10-18(17)22)31-6-4-16(33-3)5-7-31/h8-9,11-13,15-16,18,22H,4-7,10H2,1-3H3,(H2,28,29)/t15?,18-,22-/m1/s1.
What are the key properties of 5-[5-[(5S,6S)-3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[5-[(5S,6S)-3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 461.53 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(5S,6S)-3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 154971519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).