N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine

C22H22F2N6O — CID 164886651

IUPACN-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESC[C@@H](Nc1ccn2ncc(-c3cnn(C4CCOCC4)c3)c2n1)c1cc(F)ccc1F
InChIInChI=1S/C22H22F2N6O/c1-14(18-10-16(23)2-3-20(18)24)27-21-4-7-29-22(28-21)19(12-26-29)15-11-25-30(13-15)17-5-8-31-9-6-17/h2-4,7,10-14,17H,5-6,8-9H2,1H3,(H,27,28)/t14-/m1/s1
InChIKeyNMLNFZDWCDBUBQ-CQSZACIVSA-N
MW424.46 g/mol
LogP4.40
Rot. Bonds5

About N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine

N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 164886651) has the molecular formula C22H22F2N6O and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID164886651
Molecular FormulaC22H22F2N6O
Molecular Weight424.46 g/mol
Exact Mass424.18
IUPAC NameN-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESC[C@@H](Nc1ccn2ncc(-c3cnn(C4CCOCC4)c3)c2n1)c1cc(F)ccc1F
InChIInChI=1S/C22H22F2N6O/c1-14(18-10-16(23)2-3-20(18)24)27-21-4-7-29-22(28-21)19(12-26-29)15-11-25-30(13-15)17-5-8-31-9-6-17/h2-4,7,10-14,17H,5-6,8-9H2,1H3,(H,27,28)/t14-/m1/s1
InChIKeyNMLNFZDWCDBUBQ-CQSZACIVSA-N
XLogP4.40
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
(5-Phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 21066379
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
CID 138105936
CID 138105936
Pyrazolo[1,5-a]pyrimidine, 3-(4-fluorophenyl)-6-(4-pyridinyl)-
CID 5329462
3-(6-{[(1s)-1-(4-Fluorophenyl)ethyl]amino}pyrimidin-4-Yl)pyrazolo[1,5-A]pyrimidin-2-Amine
CID 44159834
4-(4-(3-(1H-Pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)morpholine
CID 60182393
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
(3R,4S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-3-ol
CID 118329676
2-[(3S)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 124663976
3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
CID 155289350

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 164886651) is N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine is C[C@@H](Nc1ccn2ncc(-c3cnn(C4CCOCC4)c3)c2n1)c1cc(F)ccc1F.
What is the InChIKey of N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is NMLNFZDWCDBUBQ-CQSZACIVSA-N. The full InChI is InChI=1S/C22H22F2N6O/c1-14(18-10-16(23)2-3-20(18)24)27-21-4-7-29-22(28-21)19(12-26-29)15-11-25-30(13-15)17-5-8-31-9-6-17/h2-4,7,10-14,17H,5-6,8-9H2,1H3,(H,27,28)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 424.46 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 164886651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).