(3R)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]azepan-2-one

C14H19N5O — CID 95718361

IUPAC(3R)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]azepan-2-one
SMILESCCc1cc(N[C@@H]2CCCCNC2=O)n2nccc2n1
InChIInChI=1S/C14H19N5O/c1-2-10-9-13(19-12(17-10)6-8-16-19)18-11-5-3-4-7-15-14(11)20/h6,8-9,11,18H,2-5,7H2,1H3,(H,15,20)/t11-/m1/s1
InChIKeyFJSGVWIOQIGWID-LLVKDONJSA-N
MW273.34 g/mol
LogP1.37
Rot. Bonds3

About (3R)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]azepan-2-one

(3R)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]azepan-2-one (PubChem CID 95718361) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (3R)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]azepan-2-one.

Molecular Properties

Compound Name(3R)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]azepan-2-one
PubChem CID95718361
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(3R)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]azepan-2-one
SMILESCCc1cc(N[C@@H]2CCCCNC2=O)n2nccc2n1
InChIInChI=1S/C14H19N5O/c1-2-10-9-13(19-12(17-10)6-8-16-19)18-11-5-3-4-7-15-14(11)20/h6,8-9,11,18H,2-5,7H2,1H3,(H,15,20)/t11-/m1/s1
InChIKeyFJSGVWIOQIGWID-LLVKDONJSA-N
XLogP1.37
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]azepan-2-one
CID 162629690
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56895664
3-(4-bromo-2-ethylanilino)azepan-2-one
CID 81292544
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95862380
5-ethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890779
3-[(1-methylpyrazol-4-yl)amino]azepan-2-one
CID 79770473
5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890412
5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56914218
3-[[(3S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol
CID 95869229
3-[[3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol
CID 56893377
N-[(1R,2R)-1-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dihydro-1H-inden-2-yl]acetamide
CID 56909755
2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
CID 58207084

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]azepan-2-one?
The IUPAC name of (3R)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]azepan-2-one (CID 95718361) is (3R)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]azepan-2-one.
What is the SMILES notation for (3R)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]azepan-2-one?
The canonical SMILES for (3R)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]azepan-2-one is CCc1cc(N[C@@H]2CCCCNC2=O)n2nccc2n1.
What is the InChIKey of (3R)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]azepan-2-one?
The InChIKey is FJSGVWIOQIGWID-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-10-9-13(19-12(17-10)6-8-16-19)18-11-5-3-4-7-15-14(11)20/h6,8-9,11,18H,2-5,7H2,1H3,(H,15,20)/t11-/m1/s1.
What are the key properties of (3R)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]azepan-2-one?
(3R)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]azepan-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]azepan-2-one is sourced from PubChem (CID 95718361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).