[5-[[[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-2-fluorophenyl]methanol

C18H21FN4O — CID 97107840

IUPAC[5-[[[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-2-fluorophenyl]methanol
SMILESCc1cc2ncc([C@H](C)NCc3ccc(F)c(CO)c3)c(C)n2n1
InChIInChI=1S/C18H21FN4O/c1-11-6-18-21-9-16(13(3)23(18)22-11)12(2)20-8-14-4-5-17(19)15(7-14)10-24/h4-7,9,12,20,24H,8,10H2,1-3H3/t12-/m0/s1
InChIKeyLVKYPFIHOHVDIP-LBPRGKRZSA-N
MW328.39 g/mol
LogP2.83
Rot. Bonds5

About [5-[[[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-2-fluorophenyl]methanol

[5-[[[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-2-fluorophenyl]methanol (PubChem CID 97107840) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is [5-[[[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[5-[[[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-2-fluorophenyl]methanol
PubChem CID97107840
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name[5-[[[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-2-fluorophenyl]methanol
SMILESCc1cc2ncc([C@H](C)NCc3ccc(F)c(CO)c3)c(C)n2n1
InChIInChI=1S/C18H21FN4O/c1-11-6-18-21-9-16(13(3)23(18)22-11)12(2)20-8-14-4-5-17(19)15(7-14)10-24/h4-7,9,12,20,24H,8,10H2,1-3H3/t12-/m0/s1
InChIKeyLVKYPFIHOHVDIP-LBPRGKRZSA-N
XLogP2.83
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[[[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-2-fluorophenyl]methanol?
The IUPAC name of [5-[[[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-2-fluorophenyl]methanol (CID 97107840) is [5-[[[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-2-fluorophenyl]methanol.
What is the SMILES notation for [5-[[[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-2-fluorophenyl]methanol?
The canonical SMILES for [5-[[[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-2-fluorophenyl]methanol is Cc1cc2ncc([C@H](C)NCc3ccc(F)c(CO)c3)c(C)n2n1.
What is the InChIKey of [5-[[[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-2-fluorophenyl]methanol?
The InChIKey is LVKYPFIHOHVDIP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-11-6-18-21-9-16(13(3)23(18)22-11)12(2)20-8-14-4-5-17(19)15(7-14)10-24/h4-7,9,12,20,24H,8,10H2,1-3H3/t12-/m0/s1.
What are the key properties of [5-[[[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-2-fluorophenyl]methanol?
[5-[[[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-2-fluorophenyl]methanol has a molecular weight of 328.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-2-fluorophenyl]methanol is sourced from PubChem (CID 97107840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).