7-ethyl-5-methyl-2-(5-phenylpyrazol-1-yl)-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde

C22H26N6O — CID 174674451

IUPAC7-ethyl-5-methyl-2-(5-phenylpyrazol-1-yl)-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde
SMILESCCC1C(C=O)N(C)c2cnc(-n3nccc3-c3ccccc3)nc2N1C(C)C
InChIInChI=1S/C22H26N6O/c1-5-17-20(14-29)26(4)19-13-23-22(25-21(19)27(17)15(2)3)28-18(11-12-24-28)16-9-7-6-8-10-16/h6-15,17,20H,5H2,1-4H3
InChIKeyUJORRUXCDBQRTM-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.34
Rot. Bonds5

About 7-ethyl-5-methyl-2-(5-phenylpyrazol-1-yl)-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde

7-ethyl-5-methyl-2-(5-phenylpyrazol-1-yl)-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde (PubChem CID 174674451) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 7-ethyl-5-methyl-2-(5-phenylpyrazol-1-yl)-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde.

Molecular Properties

Compound Name7-ethyl-5-methyl-2-(5-phenylpyrazol-1-yl)-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde
PubChem CID174674451
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name7-ethyl-5-methyl-2-(5-phenylpyrazol-1-yl)-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde
SMILESCCC1C(C=O)N(C)c2cnc(-n3nccc3-c3ccccc3)nc2N1C(C)C
InChIInChI=1S/C22H26N6O/c1-5-17-20(14-29)26(4)19-13-23-22(25-21(19)27(17)15(2)3)28-18(11-12-24-28)16-9-7-6-8-10-16/h6-15,17,20H,5H2,1-4H3
InChIKeyUJORRUXCDBQRTM-UHFFFAOYSA-N
XLogP3.34
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(4R)-5-(cyclobutadienyl)-4-ethyl-7-(5-phenylpyrazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979719
(7R)-7-ethyl-5-methyl-2-(2-phenyl-4,5-dihydroimidazol-1-yl)-8-propan-2-yl-7H-pteridin-6-one
CID 58405577
(7R)-8-cyclopentyl-7-ethyl-2-(4-imino-1-pyridinyl)-5-methyl-6,7-dihydropteridine-6-carbaldehyde
CID 175277070
7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1H-pyrazol-5-yl)-6,7-dihydropteridine-6-carbaldehyde
CID 174662633
14-(5-phenylpyrazol-1-yl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene
CID 67122004
8-(1-cyclopropylethyl)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one
CID 76777977
(7R)-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-8-propan-2-yl-7H-pteridin-6-one
CID 58405382
2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde
CID 174623114
4-ethyl-7-(2-phenyl-4,5-dihydroimidazol-1-yl)-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979728
8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-6,7-dihydropteridine-6-carbaldehyde
CID 174662579
2-(5-propan-2-ylpyrazol-1-yl)benzaldehyde
CID 84783440
1-[(2R)-pentan-2-yl]-5-phenylpyrazole
CID 156528920

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-methyl-2-(5-phenylpyrazol-1-yl)-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde?
The IUPAC name of 7-ethyl-5-methyl-2-(5-phenylpyrazol-1-yl)-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde (CID 174674451) is 7-ethyl-5-methyl-2-(5-phenylpyrazol-1-yl)-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde.
What is the SMILES notation for 7-ethyl-5-methyl-2-(5-phenylpyrazol-1-yl)-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde?
The canonical SMILES for 7-ethyl-5-methyl-2-(5-phenylpyrazol-1-yl)-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde is CCC1C(C=O)N(C)c2cnc(-n3nccc3-c3ccccc3)nc2N1C(C)C.
What is the InChIKey of 7-ethyl-5-methyl-2-(5-phenylpyrazol-1-yl)-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde?
The InChIKey is UJORRUXCDBQRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-5-17-20(14-29)26(4)19-13-23-22(25-21(19)27(17)15(2)3)28-18(11-12-24-28)16-9-7-6-8-10-16/h6-15,17,20H,5H2,1-4H3.
What are the key properties of 7-ethyl-5-methyl-2-(5-phenylpyrazol-1-yl)-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde?
7-ethyl-5-methyl-2-(5-phenylpyrazol-1-yl)-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde has a molecular weight of 390.49 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-methyl-2-(5-phenylpyrazol-1-yl)-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde is sourced from PubChem (CID 174674451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).