IBFFNFWHZUTHAU-UHFFFAOYSA-N

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

C₁₉H₂₁F₃N₈O — CID 122516594

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

IUPAC5-(4,8-diazaspiro[2.6]nonan-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

SMILESCn1cc(NC(=O)c2cnn3ccc(N4CCCNCC45CC5)nc23)c(C(F)(F)F)n1

InChIInChI=1S/C19H21F3N8O/c1-28-10-13(15(27-28)19(20,21)22)25-17(31)12-9-24-30-8-3-14(26-16(12)30)29-7-2-6-23-11-18(29)4-5-18/h3,8-10,23H,2,4-7,11H2,1H3,(H,25,31)

InChIKeyIBFFNFWHZUTHAU-UHFFFAOYSA-N

MW434.43 g/mol

LogP2.07

Rot. Bonds3

About IBFFNFWHZUTHAU-UHFFFAOYSA-N

IBFFNFWHZUTHAU-UHFFFAOYSA-N (PubChem CID 122516594) has the molecular formula C₁₉H₂₁F₃N₈O and a molecular weight of 434.43 g/mol. Its IUPAC name is 5-(4,8-diazaspiro[2.6]nonan-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name	IBFFNFWHZUTHAU-UHFFFAOYSA-N
PubChem CID	122516594
Molecular Formula	C₁₉H₂₁F₃N₈O
Molecular Weight	434.43 g/mol
Exact Mass	434.18
IUPAC Name	5-(4,8-diazaspiro[2.6]nonan-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES	Cn1cc(NC(=O)c2cnn3ccc(N4CCCNCC45CC5)nc23)c(C(F)(F)F)n1
InChI	InChI=1S/C19H21F3N8O/c1-28-10-13(15(27-28)19(20,21)22)25-17(31)12-9-24-30-8-3-14(26-16(12)30)29-7-2-6-23-11-18(29)4-5-18/h3,8-10,23H,2,4-7,11H2,1H3,(H,25,31)
InChIKey	IBFFNFWHZUTHAU-UHFFFAOYSA-N
XLogP	2.07
TPSA	92.38 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	3
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.43
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of IBFFNFWHZUTHAU-UHFFFAOYSA-N?

The IUPAC name of IBFFNFWHZUTHAU-UHFFFAOYSA-N (CID 122516594) is 5-(4,8-diazaspiro[2.6]nonan-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for IBFFNFWHZUTHAU-UHFFFAOYSA-N?

The canonical SMILES for IBFFNFWHZUTHAU-UHFFFAOYSA-N is Cn1cc(NC(=O)c2cnn3ccc(N4CCCNCC45CC5)nc23)c(C(F)(F)F)n1.

What is the InChIKey of IBFFNFWHZUTHAU-UHFFFAOYSA-N?

The InChIKey is IBFFNFWHZUTHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N8O/c1-28-10-13(15(27-28)19(20,21)22)25-17(31)12-9-24-30-8-3-14(26-16(12)30)29-7-2-6-23-11-18(29)4-5-18/h3,8-10,23H,2,4-7,11H2,1H3,(H,25,31).

What are the key properties of IBFFNFWHZUTHAU-UHFFFAOYSA-N?

IBFFNFWHZUTHAU-UHFFFAOYSA-N has a molecular weight of 434.43 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for IBFFNFWHZUTHAU-UHFFFAOYSA-N is sourced from PubChem (CID 122516594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 122516594 — identifiers, structure, computed properties (public domain)

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