2-amino-N-[4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H21F3N6O4 — CID 86304625

IUPAC2-amino-N-[4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OC1CCC2(CC1)OCCO2
InChIInChI=1S/C21H21F3N6O4/c22-21(23,24)15-4-8-30-18(28-15)16(17(25)29-30)19(31)27-13-11-26-7-3-14(13)34-12-1-5-20(6-2-12)32-9-10-33-20/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H2,25,29)(H,27,31)
InChIKeyGVVAOWJBEYFGSZ-UHFFFAOYSA-N
MW478.43 g/mol
LogP3.04
Rot. Bonds4

About 2-amino-N-[4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86304625) has the molecular formula C21H21F3N6O4 and a molecular weight of 478.43 g/mol. Its IUPAC name is 2-amino-N-[4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86304625
Molecular FormulaC21H21F3N6O4
Molecular Weight478.43 g/mol
Exact Mass478.16
IUPAC Name2-amino-N-[4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OC1CCC2(CC1)OCCO2
InChIInChI=1S/C21H21F3N6O4/c22-21(23,24)15-4-8-30-18(28-15)16(17(25)29-30)19(31)27-13-11-26-7-3-14(13)34-12-1-5-20(6-2-12)32-9-10-33-20/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H2,25,29)(H,27,31)
InChIKeyGVVAOWJBEYFGSZ-UHFFFAOYSA-N
XLogP3.04
TPSA125.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86304625) is 2-amino-N-[4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OC1CCC2(CC1)OCCO2.
What is the InChIKey of 2-amino-N-[4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GVVAOWJBEYFGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O4/c22-21(23,24)15-4-8-30-18(28-15)16(17(25)29-30)19(31)27-13-11-26-7-3-14(13)34-12-1-5-20(6-2-12)32-9-10-33-20/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H2,25,29)(H,27,31).
What are the key properties of 2-amino-N-[4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 478.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86304625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).