(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

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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).