5-[1-(3,5-difluorophenyl)ethylamino]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H16F2N6O — CID 58063223

IUPAC5-[1-(3,5-difluorophenyl)ethylamino]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(Nc1ccn2ncc(C(=O)Nc3ccccn3)c2n1)c1cc(F)cc(F)c1
InChIInChI=1S/C20H16F2N6O/c1-12(13-8-14(21)10-15(22)9-13)25-18-5-7-28-19(26-18)16(11-24-28)20(29)27-17-4-2-3-6-23-17/h2-12H,1H3,(H,25,26)(H,23,27,29)
InChIKeyFXYYHCZCPDGEQL-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.83
Rot. Bonds5

About 5-[1-(3,5-difluorophenyl)ethylamino]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[1-(3,5-difluorophenyl)ethylamino]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063223) has the molecular formula C20H16F2N6O and a molecular weight of 394.39 g/mol. Its IUPAC name is 5-[1-(3,5-difluorophenyl)ethylamino]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[1-(3,5-difluorophenyl)ethylamino]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063223
Molecular FormulaC20H16F2N6O
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC Name5-[1-(3,5-difluorophenyl)ethylamino]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(Nc1ccn2ncc(C(=O)Nc3ccccn3)c2n1)c1cc(F)cc(F)c1
InChIInChI=1S/C20H16F2N6O/c1-12(13-8-14(21)10-15(22)9-13)25-18-5-7-28-19(26-18)16(11-24-28)20(29)27-17-4-2-3-6-23-17/h2-12H,1H3,(H,25,26)(H,23,27,29)
InChIKeyFXYYHCZCPDGEQL-UHFFFAOYSA-N
XLogP3.83
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063195
N-[1-(3,5-difluorophenyl)ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine
CID 175003528
5-(3,5-difluoroanilino)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063445
N-(4,4-difluorocyclohexyl)-5-[1-(3,5-difluorophenyl)propylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063469
5-(diazinan-1-yl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134386262
N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39991149
N-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 52534736
3-bromo-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 151211392
5-[1-(2,5-difluorophenyl)ethylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063341
5-[methyl(pyridin-2-yl)amino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677801
5-[[(1R)-1-[5-fluoro-2-[(2R)-2-hydroxypropoxy]phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 152501893
5-[[(1R)-1-[5-fluoro-2-[(2S)-1-hydroxypropan-2-yl]sulfanylphenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 153354149

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-difluorophenyl)ethylamino]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[1-(3,5-difluorophenyl)ethylamino]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063223) is 5-[1-(3,5-difluorophenyl)ethylamino]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[1-(3,5-difluorophenyl)ethylamino]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[1-(3,5-difluorophenyl)ethylamino]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(Nc1ccn2ncc(C(=O)Nc3ccccn3)c2n1)c1cc(F)cc(F)c1.
What is the InChIKey of 5-[1-(3,5-difluorophenyl)ethylamino]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FXYYHCZCPDGEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O/c1-12(13-8-14(21)10-15(22)9-13)25-18-5-7-28-19(26-18)16(11-24-28)20(29)27-17-4-2-3-6-23-17/h2-12H,1H3,(H,25,26)(H,23,27,29).
What are the key properties of 5-[1-(3,5-difluorophenyl)ethylamino]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[1-(3,5-difluorophenyl)ethylamino]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 394.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-difluorophenyl)ethylamino]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).