7-butan-2-yl-4-(2-methyl-2,3-dihydroindol-1-yl)-7,8-dihydro-5H-pteridin-6-one

C19H23N5O — CID 91961686

IUPAC7-butan-2-yl-4-(2-methyl-2,3-dihydroindol-1-yl)-7,8-dihydro-5H-pteridin-6-one
SMILESCCC(C)C1Nc2ncnc(N3c4ccccc4CC3C)c2NC1=O
InChIInChI=1S/C19H23N5O/c1-4-11(2)15-19(25)23-16-17(22-15)20-10-21-18(16)24-12(3)9-13-7-5-6-8-14(13)24/h5-8,10-12,15H,4,9H2,1-3H3,(H,23,25)(H,20,21,22)
InChIKeyDIFMQDGOVRWIFD-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.34
Rot. Bonds3

About 7-butan-2-yl-4-(2-methyl-2,3-dihydroindol-1-yl)-7,8-dihydro-5H-pteridin-6-one

7-butan-2-yl-4-(2-methyl-2,3-dihydroindol-1-yl)-7,8-dihydro-5H-pteridin-6-one (PubChem CID 91961686) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 7-butan-2-yl-4-(2-methyl-2,3-dihydroindol-1-yl)-7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name7-butan-2-yl-4-(2-methyl-2,3-dihydroindol-1-yl)-7,8-dihydro-5H-pteridin-6-one
PubChem CID91961686
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name7-butan-2-yl-4-(2-methyl-2,3-dihydroindol-1-yl)-7,8-dihydro-5H-pteridin-6-one
SMILESCCC(C)C1Nc2ncnc(N3c4ccccc4CC3C)c2NC1=O
InChIInChI=1S/C19H23N5O/c1-4-11(2)15-19(25)23-16-17(22-15)20-10-21-18(16)24-12(3)9-13-7-5-6-8-14(13)24/h5-8,10-12,15H,4,9H2,1-3H3,(H,23,25)(H,20,21,22)
InChIKeyDIFMQDGOVRWIFD-UHFFFAOYSA-N
XLogP3.34
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-butan-2-yl-4-(2-methyl-2,3-dihydroindol-1-yl)-7,8-dihydro-5H-pteridin-6-one with MolForge

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Related Compounds

7-butan-2-yl-4-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pteridin-6-one
CID 91961707
N-ethyl-5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 80753978
1-(6-chloro-5-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 55229861
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carbaldehyde
CID 66336040
4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 79910439
1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole
CID 114215376
N-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine
CID 112903002
N-butan-2-yl-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112941020
2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-1H-imidazol-5-amine
CID 55012468
3-butan-2-yl-7-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 79306595
[5-(2-methyl-2,3-dihydroindol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62299989
6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 84570475

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-4-(2-methyl-2,3-dihydroindol-1-yl)-7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of 7-butan-2-yl-4-(2-methyl-2,3-dihydroindol-1-yl)-7,8-dihydro-5H-pteridin-6-one (CID 91961686) is 7-butan-2-yl-4-(2-methyl-2,3-dihydroindol-1-yl)-7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for 7-butan-2-yl-4-(2-methyl-2,3-dihydroindol-1-yl)-7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for 7-butan-2-yl-4-(2-methyl-2,3-dihydroindol-1-yl)-7,8-dihydro-5H-pteridin-6-one is CCC(C)C1Nc2ncnc(N3c4ccccc4CC3C)c2NC1=O.
What is the InChIKey of 7-butan-2-yl-4-(2-methyl-2,3-dihydroindol-1-yl)-7,8-dihydro-5H-pteridin-6-one?
The InChIKey is DIFMQDGOVRWIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-4-11(2)15-19(25)23-16-17(22-15)20-10-21-18(16)24-12(3)9-13-7-5-6-8-14(13)24/h5-8,10-12,15H,4,9H2,1-3H3,(H,23,25)(H,20,21,22).
What are the key properties of 7-butan-2-yl-4-(2-methyl-2,3-dihydroindol-1-yl)-7,8-dihydro-5H-pteridin-6-one?
7-butan-2-yl-4-(2-methyl-2,3-dihydroindol-1-yl)-7,8-dihydro-5H-pteridin-6-one has a molecular weight of 337.43 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-4-(2-methyl-2,3-dihydroindol-1-yl)-7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 91961686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).