NZIMPWJAVKYOJV-GJZGRUSLSA-N

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

C₁₉H₂₄F₂N₆O — CID 139319746

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

IUPACN-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-amine

SMILESCc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3C[C@@H]4C[C@H]3CO4)n2)n1

InChIInChI=1S/C19H24F2N6O/c1-12-4-7-27(25-12)18-23-16(22-13-2-5-19(20,21)6-3-13)9-17(24-18)26-10-15-8-14(26)11-28-15/h4,7,9,13-15H,2-3,5-6,8,10-11H2,1H3,(H,22,23,24)/t14-,15-/m0/s1

InChIKeyNZIMPWJAVKYOJV-GJZGRUSLSA-N

MW390.44 g/mol

LogP2.94

Rot. Bonds4

About NZIMPWJAVKYOJV-GJZGRUSLSA-N

NZIMPWJAVKYOJV-GJZGRUSLSA-N (PubChem CID 139319746) has the molecular formula C₁₉H₂₄F₂N₆O and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name	NZIMPWJAVKYOJV-GJZGRUSLSA-N
PubChem CID	139319746
Molecular Formula	C₁₉H₂₄F₂N₆O
Molecular Weight	390.44 g/mol
Exact Mass	390.20
IUPAC Name	N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-amine
SMILES	Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3C[C@@H]4C[C@H]3CO4)n2)n1
InChI	InChI=1S/C19H24F2N6O/c1-12-4-7-27(25-12)18-23-16(22-13-2-5-19(20,21)6-3-13)9-17(24-18)26-10-15-8-14(26)11-28-15/h4,7,9,13-15H,2-3,5-6,8,10-11H2,1H3,(H,22,23,24)/t14-,15-/m0/s1
InChIKey	NZIMPWJAVKYOJV-GJZGRUSLSA-N
XLogP	2.94
TPSA	68.10 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.44
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of NZIMPWJAVKYOJV-GJZGRUSLSA-N?

The IUPAC name of NZIMPWJAVKYOJV-GJZGRUSLSA-N (CID 139319746) is N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-amine.

What is the SMILES notation for NZIMPWJAVKYOJV-GJZGRUSLSA-N?

The canonical SMILES for NZIMPWJAVKYOJV-GJZGRUSLSA-N is Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3C[C@@H]4C[C@H]3CO4)n2)n1.

What is the InChIKey of NZIMPWJAVKYOJV-GJZGRUSLSA-N?

The InChIKey is NZIMPWJAVKYOJV-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H24F2N6O/c1-12-4-7-27(25-12)18-23-16(22-13-2-5-19(20,21)6-3-13)9-17(24-18)26-10-15-8-14(26)11-28-15/h4,7,9,13-15H,2-3,5-6,8,10-11H2,1H3,(H,22,23,24)/t14-,15-/m0/s1.

What are the key properties of NZIMPWJAVKYOJV-GJZGRUSLSA-N?

NZIMPWJAVKYOJV-GJZGRUSLSA-N has a molecular weight of 390.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for NZIMPWJAVKYOJV-GJZGRUSLSA-N is sourced from PubChem (CID 139319746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139319746 — identifiers, structure, computed properties (public domain)

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