OVAPTOHNOURLQQ-CXOKAFIMSA-N

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

C₂₄H₃₁F₂N₅O₂ — CID 118161614

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

IUPAC5-[1-cyclopentyl-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine

SMILESNc1ncc(-c2cc(C3[C@H]4CC(N5CCOCC5)C[C@@H]34)n(C3CCCC3)n2)cc1OC(F)F

InChIInChI=1S/C24H31F2N5O2/c25-24(26)33-21-9-14(13-28-23(21)27)19-12-20(31(29-19)15-3-1-2-4-15)22-17-10-16(11-18(17)22)30-5-7-32-8-6-30/h9,12-13,15-18,22,24H,1-8,10-11H2,(H2,27,28)/t16?,17-,18+,22?

InChIKeyOVAPTOHNOURLQQ-CXOKAFIMSA-N

MW459.54 g/mol

LogP4.07

Rot. Bonds6

About OVAPTOHNOURLQQ-CXOKAFIMSA-N

OVAPTOHNOURLQQ-CXOKAFIMSA-N (PubChem CID 118161614) has the molecular formula C₂₄H₃₁F₂N₅O₂ and a molecular weight of 459.54 g/mol. Its IUPAC name is 5-[1-cyclopentyl-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name	OVAPTOHNOURLQQ-CXOKAFIMSA-N
PubChem CID	118161614
Molecular Formula	C₂₄H₃₁F₂N₅O₂
Molecular Weight	459.54 g/mol
Exact Mass	459.24
IUPAC Name	5-[1-cyclopentyl-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILES	Nc1ncc(-c2cc(C3[C@H]4CC(N5CCOCC5)C[C@@H]34)n(C3CCCC3)n2)cc1OC(F)F
InChI	InChI=1S/C24H31F2N5O2/c25-24(26)33-21-9-14(13-28-23(21)27)19-12-20(31(29-19)15-3-1-2-4-15)22-17-10-16(11-18(17)22)30-5-7-32-8-6-30/h9,12-13,15-18,22,24H,1-8,10-11H2,(H2,27,28)/t16?,17-,18+,22?
InChIKey	OVAPTOHNOURLQQ-CXOKAFIMSA-N
XLogP	4.07
TPSA	78.43 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.54
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of OVAPTOHNOURLQQ-CXOKAFIMSA-N?

The IUPAC name of OVAPTOHNOURLQQ-CXOKAFIMSA-N (CID 118161614) is 5-[1-cyclopentyl-5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine.

What is the SMILES notation for OVAPTOHNOURLQQ-CXOKAFIMSA-N?

The canonical SMILES for OVAPTOHNOURLQQ-CXOKAFIMSA-N is Nc1ncc(-c2cc(C3[C@H]4CC(N5CCOCC5)C[C@@H]34)n(C3CCCC3)n2)cc1OC(F)F.

What is the InChIKey of OVAPTOHNOURLQQ-CXOKAFIMSA-N?

The InChIKey is OVAPTOHNOURLQQ-CXOKAFIMSA-N. The full InChI is InChI=1S/C24H31F2N5O2/c25-24(26)33-21-9-14(13-28-23(21)27)19-12-20(31(29-19)15-3-1-2-4-15)22-17-10-16(11-18(17)22)30-5-7-32-8-6-30/h9,12-13,15-18,22,24H,1-8,10-11H2,(H2,27,28)/t16?,17-,18+,22?.

What are the key properties of OVAPTOHNOURLQQ-CXOKAFIMSA-N?

OVAPTOHNOURLQQ-CXOKAFIMSA-N has a molecular weight of 459.54 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for OVAPTOHNOURLQQ-CXOKAFIMSA-N is sourced from PubChem (CID 118161614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118161614 — identifiers, structure, computed properties (public domain)

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