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

C19H20FN7O2 — CID 170680070

IUPAC2-[5-[[(1R)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one
SMILESCOc1ncc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)C(=O)N3)c2n1
InChIInChI=1S/C19H20FN7O2/c1-10(12-7-11(20)8-21-17(12)29-4)23-14-5-6-27-16(24-14)13(9-22-27)15-25-18(28)19(2,3)26-15/h5-10H,1-4H3,(H,23,24)(H,25,26,28)/t10-/m1/s1
InChIKeyBMTIKSJLEZIKMJ-SNVBAGLBSA-N
MW397.41 g/mol
LogP2.10
Rot. Bonds5

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

2-[5-[[(1R)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one (PubChem CID 170680070) has the molecular formula C19H20FN7O2 and a molecular weight of 397.41 g/mol. Its IUPAC name is 2-[5-[[(1R)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-[5-[[(1R)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one
PubChem CID170680070
Molecular FormulaC19H20FN7O2
Molecular Weight397.41 g/mol
Exact Mass397.17
IUPAC Name2-[5-[[(1R)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one
SMILESCOc1ncc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)C(=O)N3)c2n1
InChIInChI=1S/C19H20FN7O2/c1-10(12-7-11(20)8-21-17(12)29-4)23-14-5-6-27-16(24-14)13(9-22-27)15-25-18(28)19(2,3)26-15/h5-10H,1-4H3,(H,23,24)(H,25,26,28)/t10-/m1/s1
InChIKeyBMTIKSJLEZIKMJ-SNVBAGLBSA-N
XLogP2.10
TPSA105.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-[[(1R)-1-(5-fluoro-2-methoxy-3-pyridinyl)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-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one?
The IUPAC name of 2-[5-[[(1R)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one (CID 170680070) is 2-[5-[[(1R)-1-(5-fluoro-2-methoxy-3-pyridinyl)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-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one?
The canonical SMILES for 2-[5-[[(1R)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one is COc1ncc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(C)(C)C(=O)N3)c2n1.
What is the InChIKey of 2-[5-[[(1R)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one?
The InChIKey is BMTIKSJLEZIKMJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H20FN7O2/c1-10(12-7-11(20)8-21-17(12)29-4)23-14-5-6-27-16(24-14)13(9-22-27)15-25-18(28)19(2,3)26-15/h5-10H,1-4H3,(H,23,24)(H,25,26,28)/t10-/m1/s1.
What are the key properties of 2-[5-[[(1R)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one?
2-[5-[[(1R)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one has a molecular weight of 397.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(1R)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one is sourced from PubChem (CID 170680070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).