3,3,8-trimethyl-6-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione

C15H15N7O2 — CID 135240039

IUPAC3,3,8-trimethyl-6-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCc1cc(Nc2ncnc3[nH]ncc23)c(=O)n2c1C(=O)NC2(C)C
InChIInChI=1S/C15H15N7O2/c1-7-4-9(14(24)22-10(7)13(23)20-15(22,2)3)19-11-8-5-18-21-12(8)17-6-16-11/h4-6H,1-3H3,(H,20,23)(H2,16,17,18,19,21)
InChIKeyYVMLJLUYSMFRHI-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.00
Rot. Bonds2

About 3,3,8-trimethyl-6-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione

3,3,8-trimethyl-6-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 135240039) has the molecular formula C15H15N7O2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 3,3,8-trimethyl-6-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name3,3,8-trimethyl-6-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID135240039
Molecular FormulaC15H15N7O2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name3,3,8-trimethyl-6-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCc1cc(Nc2ncnc3[nH]ncc23)c(=O)n2c1C(=O)NC2(C)C
InChIInChI=1S/C15H15N7O2/c1-7-4-9(14(24)22-10(7)13(23)20-15(22,2)3)19-11-8-5-18-21-12(8)17-6-16-11/h4-6H,1-3H3,(H,20,23)(H2,16,17,18,19,21)
InChIKeyYVMLJLUYSMFRHI-UHFFFAOYSA-N
XLogP1.00
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,3,8-trimethyl-6-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 3,3,8-trimethyl-6-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 135240039) is 3,3,8-trimethyl-6-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 3,3,8-trimethyl-6-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 3,3,8-trimethyl-6-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione is Cc1cc(Nc2ncnc3[nH]ncc23)c(=O)n2c1C(=O)NC2(C)C.
What is the InChIKey of 3,3,8-trimethyl-6-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is YVMLJLUYSMFRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2/c1-7-4-9(14(24)22-10(7)13(23)20-15(22,2)3)19-11-8-5-18-21-12(8)17-6-16-11/h4-6H,1-3H3,(H,20,23)(H2,16,17,18,19,21).
What are the key properties of 3,3,8-trimethyl-6-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione?
3,3,8-trimethyl-6-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 325.33 g/mol, XLogP of 1.00, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,8-trimethyl-6-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 135240039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).