KGNPRXPARKDGKU-IRQAKGAISA-N

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

C₂₃H₂₉F₂N₅O₂ — CID 118161627

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

IUPAC3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CC(N3CC4CC(C3)O4)C[C@@H]12

InChIInChI=1S/C23H29F2N5O2/c1-11(2)30-19(7-18(28-30)12-3-20(32-23(24)25)22(26)27-8-12)21-16-4-13(5-17(16)21)29-9-14-6-15(10-29)31-14/h3,7-8,11,13-17,21,23H,4-6,9-10H2,1-2H3,(H2,26,27)/t13?,14?,15?,16-,17+,21?

InChIKeyKGNPRXPARKDGKU-VELPYVPJSA-N

MW445.51 g/mol

LogP3.67

Rot. Bonds6

About KGNPRXPARKDGKU-IRQAKGAISA-N

KGNPRXPARKDGKU-IRQAKGAISA-N (PubChem CID 118161627) has the molecular formula C₂₃H₂₉F₂N₅O₂ and a molecular weight of 445.51 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name	KGNPRXPARKDGKU-IRQAKGAISA-N
PubChem CID	118161627
Molecular Formula	C₂₃H₂₉F₂N₅O₂
Molecular Weight	445.51 g/mol
Exact Mass	445.23
IUPAC Name	3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILES	CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CC(N3CC4CC(C3)O4)C[C@@H]12
InChI	InChI=1S/C23H29F2N5O2/c1-11(2)30-19(7-18(28-30)12-3-20(32-23(24)25)22(26)27-8-12)21-16-4-13(5-17(16)21)29-9-14-6-15(10-29)31-14/h3,7-8,11,13-17,21,23H,4-6,9-10H2,1-2H3,(H2,26,27)/t13?,14?,15?,16-,17+,21?
InChIKey	KGNPRXPARKDGKU-VELPYVPJSA-N
XLogP	3.67
TPSA	78.43 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.51
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of KGNPRXPARKDGKU-IRQAKGAISA-N?

The IUPAC name of KGNPRXPARKDGKU-IRQAKGAISA-N (CID 118161627) is 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.

What is the SMILES notation for KGNPRXPARKDGKU-IRQAKGAISA-N?

The canonical SMILES for KGNPRXPARKDGKU-IRQAKGAISA-N is CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CC(N3CC4CC(C3)O4)C[C@@H]12.

What is the InChIKey of KGNPRXPARKDGKU-IRQAKGAISA-N?

The InChIKey is KGNPRXPARKDGKU-VELPYVPJSA-N. The full InChI is InChI=1S/C23H29F2N5O2/c1-11(2)30-19(7-18(28-30)12-3-20(32-23(24)25)22(26)27-8-12)21-16-4-13(5-17(16)21)29-9-14-6-15(10-29)31-14/h3,7-8,11,13-17,21,23H,4-6,9-10H2,1-2H3,(H2,26,27)/t13?,14?,15?,16-,17+,21?.

What are the key properties of KGNPRXPARKDGKU-IRQAKGAISA-N?

KGNPRXPARKDGKU-IRQAKGAISA-N has a molecular weight of 445.51 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for KGNPRXPARKDGKU-IRQAKGAISA-N is sourced from PubChem (CID 118161627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118161627 — identifiers, structure, computed properties (public domain)

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