(4S)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one

C17H25N5O2 — CID 95880704

IUPAC(4S)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCCc1cc(N[C@H]2CC(=O)N(CCOC)C2)n2nc(C)c(C)c2n1
InChIInChI=1S/C17H25N5O2/c1-5-13-8-15(22-17(19-13)11(2)12(3)20-22)18-14-9-16(23)21(10-14)6-7-24-4/h8,14,18H,5-7,9-10H2,1-4H3/t14-/m0/s1
InChIKeyWNXPJLFGEXJDRR-AWEZNQCLSA-N
MW331.42 g/mol
LogP1.57
Rot. Bonds6

About (4S)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one

(4S)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 95880704) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (4S)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID95880704
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(4S)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCCc1cc(N[C@H]2CC(=O)N(CCOC)C2)n2nc(C)c(C)c2n1
InChIInChI=1S/C17H25N5O2/c1-5-13-8-15(22-17(19-13)11(2)12(3)20-22)18-14-9-16(23)21(10-14)6-7-24-4/h8,14,18H,5-7,9-10H2,1-4H3/t14-/m0/s1
InChIKeyWNXPJLFGEXJDRR-AWEZNQCLSA-N
XLogP1.57
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one
CID 95875756
(4R)-1-cyclopropyl-4-[[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
CID 95880768
5-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,2,3-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70717463
(4R)-4-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one
CID 95867454
3-[(1R)-1-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136740178
1-(2-methoxyethyl)-4-[[4-(methylamino)pyrimidin-2-yl]amino]pyrrolidin-2-one
CID 50966800
5-ethyl-2,3-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70771078
2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 56906125
N-cyclohexyl-3-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
CID 70717031
5-ethyl-2,3-dimethyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95868991
1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-ol
CID 70757938
(4R)-4-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 95721387

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 95880704) is (4S)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one is CCc1cc(N[C@H]2CC(=O)N(CCOC)C2)n2nc(C)c(C)c2n1.
What is the InChIKey of (4S)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is WNXPJLFGEXJDRR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-5-13-8-15(22-17(19-13)11(2)12(3)20-22)18-14-9-16(23)21(10-14)6-7-24-4/h8,14,18H,5-7,9-10H2,1-4H3/t14-/m0/s1.
What are the key properties of (4S)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one?
(4S)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 331.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 95880704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).