VYZSXZBGJIRBLN-AOVYDPOASA-N

Name: VYZSXZBGJIRBLN-AOVYDPOASA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₃H₃₀F₃N₅O₂ — CID 118161621

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-[5-[(1R,5S)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC(N3CCO[C@@H](C)C3)C[C@@H]12

InChIInChI=1S/C23H30F3N5O2/c1-12(2)31-19(21-16-7-15(8-17(16)21)30-4-5-32-13(3)11-30)9-18(29-31)14-6-20(22(27)28-10-14)33-23(24,25)26/h6,9-10,12-13,15-17,21H,4-5,7-8,11H2,1-3H3,(H2,27,28)/t13-,15?,16-,17+,21?/m0/s1

InChIKeyVYZSXZBGJIRBLN-KUPPSAMISA-N

MW465.52 g/mol

LogP4.22

Rot. Bonds5

About VYZSXZBGJIRBLN-AOVYDPOASA-N

VYZSXZBGJIRBLN-AOVYDPOASA-N (PubChem CID 118161621) has the molecular formula C₂₃H₃₀F₃N₅O₂ and a molecular weight of 465.52 g/mol. Its IUPAC name is 5-[5-[(1R,5S)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name	VYZSXZBGJIRBLN-AOVYDPOASA-N
PubChem CID	118161621
Molecular Formula	C₂₃H₃₀F₃N₅O₂
Molecular Weight	465.52 g/mol
Exact Mass	465.24
IUPAC Name	5-[5-[(1R,5S)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILES	CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC(N3CCO[C@@H](C)C3)C[C@@H]12
InChI	InChI=1S/C23H30F3N5O2/c1-12(2)31-19(21-16-7-15(8-17(16)21)30-4-5-32-13(3)11-30)9-18(29-31)14-6-20(22(27)28-10-14)33-23(24,25)26/h6,9-10,12-13,15-17,21H,4-5,7-8,11H2,1-3H3,(H2,27,28)/t13-,15?,16-,17+,21?/m0/s1
InChIKey	VYZSXZBGJIRBLN-KUPPSAMISA-N
XLogP	4.22
TPSA	78.43 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.52
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of VYZSXZBGJIRBLN-AOVYDPOASA-N?

The IUPAC name of VYZSXZBGJIRBLN-AOVYDPOASA-N (CID 118161621) is 5-[5-[(1R,5S)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.

What is the SMILES notation for VYZSXZBGJIRBLN-AOVYDPOASA-N?

The canonical SMILES for VYZSXZBGJIRBLN-AOVYDPOASA-N is CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC(N3CCO[C@@H](C)C3)C[C@@H]12.

What is the InChIKey of VYZSXZBGJIRBLN-AOVYDPOASA-N?

The InChIKey is VYZSXZBGJIRBLN-KUPPSAMISA-N. The full InChI is InChI=1S/C23H30F3N5O2/c1-12(2)31-19(21-16-7-15(8-17(16)21)30-4-5-32-13(3)11-30)9-18(29-31)14-6-20(22(27)28-10-14)33-23(24,25)26/h6,9-10,12-13,15-17,21H,4-5,7-8,11H2,1-3H3,(H2,27,28)/t13-,15?,16-,17+,21?/m0/s1.

What are the key properties of VYZSXZBGJIRBLN-AOVYDPOASA-N?

VYZSXZBGJIRBLN-AOVYDPOASA-N has a molecular weight of 465.52 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for VYZSXZBGJIRBLN-AOVYDPOASA-N is sourced from PubChem (CID 118161621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118161621 — identifiers, structure, computed properties (public domain)

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