2-[5-[[(1R)-1-(3,5-difluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one

C20H20F2N6O2 — CID 170680059

IUPAC2-[5-[[(1R)-1-(3,5-difluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one
SMILESCOc1c(F)cc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)C(=O)N3)c2n1
InChIInChI=1S/C20H20F2N6O2/c1-10(12-7-11(21)8-14(22)16(12)30-4)24-15-5-6-28-18(25-15)13(9-23-28)17-26-19(29)20(2,3)27-17/h5-10H,1-4H3,(H,24,25)(H,26,27,29)/t10-/m1/s1
InChIKeyRLHGMHDDJDTUOF-SNVBAGLBSA-N
MW414.42 g/mol
LogP2.84
Rot. Bonds5

About 2-[5-[[(1R)-1-(3,5-difluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one

2-[5-[[(1R)-1-(3,5-difluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one (PubChem CID 170680059) has the molecular formula C20H20F2N6O2 and a molecular weight of 414.42 g/mol. Its IUPAC name is 2-[5-[[(1R)-1-(3,5-difluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-[5-[[(1R)-1-(3,5-difluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one
PubChem CID170680059
Molecular FormulaC20H20F2N6O2
Molecular Weight414.42 g/mol
Exact Mass414.16
IUPAC Name2-[5-[[(1R)-1-(3,5-difluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one
SMILESCOc1c(F)cc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)C(=O)N3)c2n1
InChIInChI=1S/C20H20F2N6O2/c1-10(12-7-11(21)8-14(22)16(12)30-4)24-15-5-6-28-18(25-15)13(9-23-28)17-26-19(29)20(2,3)27-17/h5-10H,1-4H3,(H,24,25)(H,26,27,29)/t10-/m1/s1
InChIKeyRLHGMHDDJDTUOF-SNVBAGLBSA-N
XLogP2.84
TPSA92.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[5-[[(1R)-1-(3,5-difluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(1R)-1-(3,5-difluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one?
The IUPAC name of 2-[5-[[(1R)-1-(3,5-difluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one (CID 170680059) is 2-[5-[[(1R)-1-(3,5-difluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one.
What is the SMILES notation for 2-[5-[[(1R)-1-(3,5-difluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one?
The canonical SMILES for 2-[5-[[(1R)-1-(3,5-difluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one is COc1c(F)cc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)C(=O)N3)c2n1.
What is the InChIKey of 2-[5-[[(1R)-1-(3,5-difluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one?
The InChIKey is RLHGMHDDJDTUOF-SNVBAGLBSA-N. The full InChI is InChI=1S/C20H20F2N6O2/c1-10(12-7-11(21)8-14(22)16(12)30-4)24-15-5-6-28-18(25-15)13(9-23-28)17-26-19(29)20(2,3)27-17/h5-10H,1-4H3,(H,24,25)(H,26,27,29)/t10-/m1/s1.
What are the key properties of 2-[5-[[(1R)-1-(3,5-difluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one?
2-[5-[[(1R)-1-(3,5-difluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one has a molecular weight of 414.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(1R)-1-(3,5-difluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one is sourced from PubChem (CID 170680059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).