(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone

C17H23N5O — CID 56750974

IUPAC(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCCc1ncc2c(n1)CN(C(=O)c1cc(C(C)C)nn1CC)C2
InChIInChI=1S/C17H23N5O/c1-5-16-18-8-12-9-21(10-14(12)19-16)17(23)15-7-13(11(3)4)20-22(15)6-2/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyHDVBOHKOGUASFG-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.53
Rot. Bonds4

About (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone

(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 56750974) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
PubChem CID56750974
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCCc1ncc2c(n1)CN(C(=O)c1cc(C(C)C)nn1CC)C2
InChIInChI=1S/C17H23N5O/c1-5-16-18-8-12-9-21(10-14(12)19-16)17(23)15-7-13(11(3)4)20-22(15)6-2/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyHDVBOHKOGUASFG-UHFFFAOYSA-N
XLogP2.53
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 106671806
1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrrol-1-ylbutan-1-one
CID 56744309
(2S)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-imidazol-1-ylpropan-1-one
CID 95222416
N-[(2R)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 95200929
(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2-phenylphenyl)methanone
CID 56743916
7-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-3-methylquinazolin-4-one
CID 56740493
(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 56742835
(1-tert-butylpyrrol-3-yl)-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 56760584
(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-quinolin-8-ylmethanone
CID 56754940
[(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 95721521
2-(4-chlorophenyl)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-methylbutan-1-one
CID 56741223
2-ethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 164923785

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone (CID 56750974) is (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone is CCc1ncc2c(n1)CN(C(=O)c1cc(C(C)C)nn1CC)C2.
What is the InChIKey of (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is HDVBOHKOGUASFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-5-16-18-8-12-9-21(10-14(12)19-16)17(23)15-7-13(11(3)4)20-22(15)6-2/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 313.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 56750974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).