(4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one

C17H25N5O — CID 95875756

IUPAC(4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one
SMILESCCCN1C[C@H](Nc2cc(CC)nc3c(C)c(C)nn23)CC1=O
InChIInChI=1S/C17H25N5O/c1-5-7-21-10-14(9-16(21)23)18-15-8-13(6-2)19-17-11(3)12(4)20-22(15)17/h8,14,18H,5-7,9-10H2,1-4H3/t14-/m1/s1
InChIKeyRXABWHLTTLMGOJ-CQSZACIVSA-N
MW315.42 g/mol
LogP2.33
Rot. Bonds5

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

(4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one (PubChem CID 95875756) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one
PubChem CID95875756
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one
SMILESCCCN1C[C@H](Nc2cc(CC)nc3c(C)c(C)nn23)CC1=O
InChIInChI=1S/C17H25N5O/c1-5-7-21-10-14(9-16(21)23)18-15-8-13(6-2)19-17-11(3)12(4)20-22(15)17/h8,14,18H,5-7,9-10H2,1-4H3/t14-/m1/s1
InChIKeyRXABWHLTTLMGOJ-CQSZACIVSA-N
XLogP2.33
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one with MolForge

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Related Compounds

(4S)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 95880704
(4R)-4-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one
CID 95867454
(4R)-1-cyclopropyl-4-[[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
CID 95880768
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
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
4-[(5-acetyl-4-methylpyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one
CID 137342222
1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-ol
CID 70757938
4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one
CID 56902346
N-cyclopropyl-4-ethyl-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
CID 16669286

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one (CID 95875756) is (4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one is CCCN1C[C@H](Nc2cc(CC)nc3c(C)c(C)nn23)CC1=O.
What is the InChIKey of (4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one?
The InChIKey is RXABWHLTTLMGOJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N5O/c1-5-7-21-10-14(9-16(21)23)18-15-8-13(6-2)19-17-11(3)12(4)20-22(15)17/h8,14,18H,5-7,9-10H2,1-4H3/t14-/m1/s1.
What are the key properties of (4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one?
(4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one has a molecular weight of 315.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one is sourced from PubChem (CID 95875756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).