5-[1-(2,5-difluorophenyl)ethylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H21F2N5O2 — CID 58063341

IUPAC5-[1-(2,5-difluorophenyl)ethylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(Nc1ccn2ncc(C(=O)NC3CCOCC3)c2n1)c1cc(F)ccc1F
InChIInChI=1S/C20H21F2N5O2/c1-12(15-10-13(21)2-3-17(15)22)24-18-4-7-27-19(26-18)16(11-23-27)20(28)25-14-5-8-29-9-6-14/h2-4,7,10-12,14H,5-6,8-9H2,1H3,(H,24,26)(H,25,28)
InChIKeyPTAMHJQVEIXUFR-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.09
Rot. Bonds5

About 5-[1-(2,5-difluorophenyl)ethylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[1-(2,5-difluorophenyl)ethylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063341) has the molecular formula C20H21F2N5O2 and a molecular weight of 401.42 g/mol. Its IUPAC name is 5-[1-(2,5-difluorophenyl)ethylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[1-(2,5-difluorophenyl)ethylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063341
Molecular FormulaC20H21F2N5O2
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC Name5-[1-(2,5-difluorophenyl)ethylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(Nc1ccn2ncc(C(=O)NC3CCOCC3)c2n1)c1cc(F)ccc1F
InChIInChI=1S/C20H21F2N5O2/c1-12(15-10-13(21)2-3-17(15)22)24-18-4-7-27-19(26-18)16(11-23-27)20(28)25-14-5-8-29-9-6-14/h2-4,7,10-12,14H,5-6,8-9H2,1H3,(H,24,26)(H,25,28)
InChIKeyPTAMHJQVEIXUFR-UHFFFAOYSA-N
XLogP3.09
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063467
5-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063050
5-(2,3-dihydro-1H-inden-2-ylamino)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063497
N-(4,4-difluorocyclohexyl)-5-[1-(3,5-difluorophenyl)propylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063469
5-[[(1R)-1-[5-fluoro-2-[(2S)-1-hydroxypropan-2-yl]sulfanylphenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 153354149
5-[[(1R)-1-[5-fluoro-2-[(2R)-2-hydroxypropoxy]phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 152501893
N-cyclohexyl-5-[(3,5-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063267
5-[[(1R)-1-[5-fluoro-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 149451971
5-[1-[2-[3-(aminomethyl)pyrrolidin-1-yl]-5-fluoro-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 162353295
5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063195
5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171356498
5-(cyclohexylamino)-N-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063413

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,5-difluorophenyl)ethylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[1-(2,5-difluorophenyl)ethylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063341) is 5-[1-(2,5-difluorophenyl)ethylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[1-(2,5-difluorophenyl)ethylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[1-(2,5-difluorophenyl)ethylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(Nc1ccn2ncc(C(=O)NC3CCOCC3)c2n1)c1cc(F)ccc1F.
What is the InChIKey of 5-[1-(2,5-difluorophenyl)ethylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PTAMHJQVEIXUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O2/c1-12(15-10-13(21)2-3-17(15)22)24-18-4-7-27-19(26-18)16(11-23-27)20(28)25-14-5-8-29-9-6-14/h2-4,7,10-12,14H,5-6,8-9H2,1H3,(H,24,26)(H,25,28).
What are the key properties of 5-[1-(2,5-difluorophenyl)ethylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[1-(2,5-difluorophenyl)ethylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,5-difluorophenyl)ethylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).