4-ethyl-5-(1-methylpyrazol-3-yl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine

C24H21N9 — CID 66979961

IUPAC4-ethyl-5-(1-methylpyrazol-3-yl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(-c3ccncc3-c3ccccc3)nc2N1c1ccn(C)n1
InChIInChI=1S/C24H21N9/c1-3-19-24-29-27-15-32(24)20-14-26-22(28-23(20)33(19)21-10-12-31(2)30-21)17-9-11-25-13-18(17)16-7-5-4-6-8-16/h4-15,19H,3H2,1-2H3
InChIKeyZMQNKVUUSMTHRR-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.12
Rot. Bonds4

About 4-ethyl-5-(1-methylpyrazol-3-yl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine

4-ethyl-5-(1-methylpyrazol-3-yl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 66979961) has the molecular formula C24H21N9 and a molecular weight of 435.50 g/mol. Its IUPAC name is 4-ethyl-5-(1-methylpyrazol-3-yl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name4-ethyl-5-(1-methylpyrazol-3-yl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID66979961
Molecular FormulaC24H21N9
Molecular Weight435.50 g/mol
Exact Mass435.19
IUPAC Name4-ethyl-5-(1-methylpyrazol-3-yl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(-c3ccncc3-c3ccccc3)nc2N1c1ccn(C)n1
InChIInChI=1S/C24H21N9/c1-3-19-24-29-27-15-32(24)20-14-26-22(28-23(20)33(19)21-10-12-31(2)30-21)17-9-11-25-13-18(17)16-7-5-4-6-8-16/h4-15,19H,3H2,1-2H3
InChIKeyZMQNKVUUSMTHRR-UHFFFAOYSA-N
XLogP4.12
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979507
2-[4-[(4R)-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 66979556
2-[4-[(4R)-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-1-methylpyrazol-5-yl]-1,3-thiazole
CID 66979666
5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-(1,1,2,2,2-pentadeuterioethyl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87913804
4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine
CID 66979234
(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979399
(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one
CID 58405739
(4R)-5-(cyclobutadienyl)-4-ethyl-7-(5-phenylpyrazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979719
4-ethyl-5-phenyl-N-[(1S)-1-phenylethyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
CID 66712962
2-[4-[4-ethyl-5-(1-methylpyrazol-4-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-1H-pyrazol-5-yl]-1,3-thiazole
CID 66979468
4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979936
(4R)-5-cyclopentyl-4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499387

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(1-methylpyrazol-3-yl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of 4-ethyl-5-(1-methylpyrazol-3-yl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 66979961) is 4-ethyl-5-(1-methylpyrazol-3-yl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for 4-ethyl-5-(1-methylpyrazol-3-yl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for 4-ethyl-5-(1-methylpyrazol-3-yl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine is CCC1c2nncn2-c2cnc(-c3ccncc3-c3ccccc3)nc2N1c1ccn(C)n1.
What is the InChIKey of 4-ethyl-5-(1-methylpyrazol-3-yl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is ZMQNKVUUSMTHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N9/c1-3-19-24-29-27-15-32(24)20-14-26-22(28-23(20)33(19)21-10-12-31(2)30-21)17-9-11-25-13-18(17)16-7-5-4-6-8-16/h4-15,19H,3H2,1-2H3.
What are the key properties of 4-ethyl-5-(1-methylpyrazol-3-yl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
4-ethyl-5-(1-methylpyrazol-3-yl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 435.50 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(1-methylpyrazol-3-yl)-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 66979961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).