N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H23F4N5O2 — CID 145294623

IUPACN-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cc(C(C)C)cnc2c1C(=O)NC1(c2ncc(C(F)(F)F)cc2F)CCOCC1
InChIInChI=1S/C22H23F4N5O2/c1-12(2)14-9-28-19-17(13(3)30-31(19)11-14)20(32)29-21(4-6-33-7-5-21)18-16(23)8-15(10-27-18)22(24,25)26/h8-12H,4-7H2,1-3H3,(H,29,32)
InChIKeyGOQPNXXVFFBNEQ-UHFFFAOYSA-N
MW465.45 g/mol
LogP4.15
Rot. Bonds4

About N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 145294623) has the molecular formula C22H23F4N5O2 and a molecular weight of 465.45 g/mol. Its IUPAC name is N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID145294623
Molecular FormulaC22H23F4N5O2
Molecular Weight465.45 g/mol
Exact Mass465.18
IUPAC NameN-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cc(C(C)C)cnc2c1C(=O)NC1(c2ncc(C(F)(F)F)cc2F)CCOCC1
InChIInChI=1S/C22H23F4N5O2/c1-12(2)14-9-28-19-17(13(3)30-31(19)11-14)20(32)29-21(4-6-33-7-5-21)18-16(23)8-15(10-27-18)22(24,25)26/h8-12H,4-7H2,1-3H3,(H,29,32)
InChIKeyGOQPNXXVFFBNEQ-UHFFFAOYSA-N
XLogP4.15
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US10774086, Example 25
CID 134551606
US10774086, Example 26
CID 139465943
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90241809
N-[6-[3-(4-fluorophenyl)-1-methyl-5-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118537111
N-[6-[3-(4-fluorophenyl)-1-methyl-5-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide
CID 118537171
US10774086, Example 21
CID 134551604
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449792
N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(oxan-3-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449913
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137457581
US10774086, Example 20
CID 139465948
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383371
N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559243

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 145294623) is N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cc(C(C)C)cnc2c1C(=O)NC1(c2ncc(C(F)(F)F)cc2F)CCOCC1.
What is the InChIKey of N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GOQPNXXVFFBNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4N5O2/c1-12(2)14-9-28-19-17(13(3)30-31(19)11-14)20(32)29-21(4-6-33-7-5-21)18-16(23)8-15(10-27-18)22(24,25)26/h8-12H,4-7H2,1-3H3,(H,29,32).
What are the key properties of N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 465.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 145294623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).