(4R)-5-cyclopentyl-4-ethyl-7-[2-(1H-pyrazol-4-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine

C20H22N10 — CID 67498562

IUPAC(4R)-5-cyclopentyl-4-ethyl-7-[2-(1H-pyrazol-4-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nncn2-c2cnc(-n3ccnc3-c3cn[nH]c3)nc2N1C1CCCC1
InChIInChI=1S/C20H22N10/c1-2-15-19-27-25-12-29(19)16-11-22-20(26-18(16)30(15)14-5-3-4-6-14)28-8-7-21-17(28)13-9-23-24-10-13/h7-12,14-15H,2-6H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyGWIUUORDMSRIJX-OAHLLOKOSA-N
MW402.47 g/mol
LogP2.85
Rot. Bonds4

About (4R)-5-cyclopentyl-4-ethyl-7-[2-(1H-pyrazol-4-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine

(4R)-5-cyclopentyl-4-ethyl-7-[2-(1H-pyrazol-4-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 67498562) has the molecular formula C20H22N10 and a molecular weight of 402.47 g/mol. Its IUPAC name is (4R)-5-cyclopentyl-4-ethyl-7-[2-(1H-pyrazol-4-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name(4R)-5-cyclopentyl-4-ethyl-7-[2-(1H-pyrazol-4-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID67498562
Molecular FormulaC20H22N10
Molecular Weight402.47 g/mol
Exact Mass402.20
IUPAC Name(4R)-5-cyclopentyl-4-ethyl-7-[2-(1H-pyrazol-4-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nncn2-c2cnc(-n3ccnc3-c3cn[nH]c3)nc2N1C1CCCC1
InChIInChI=1S/C20H22N10/c1-2-15-19-27-25-12-29(19)16-11-22-20(26-18(16)30(15)14-5-3-4-6-14)28-8-7-21-17(28)13-9-23-24-10-13/h7-12,14-15H,2-6H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyGWIUUORDMSRIJX-OAHLLOKOSA-N
XLogP2.85
TPSA106.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-cyclopentyl-4-ethyl-7-[2-(1H-pyrazol-4-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of (4R)-5-cyclopentyl-4-ethyl-7-[2-(1H-pyrazol-4-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 67498562) is (4R)-5-cyclopentyl-4-ethyl-7-[2-(1H-pyrazol-4-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for (4R)-5-cyclopentyl-4-ethyl-7-[2-(1H-pyrazol-4-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for (4R)-5-cyclopentyl-4-ethyl-7-[2-(1H-pyrazol-4-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine is CC[C@@H]1c2nncn2-c2cnc(-n3ccnc3-c3cn[nH]c3)nc2N1C1CCCC1.
What is the InChIKey of (4R)-5-cyclopentyl-4-ethyl-7-[2-(1H-pyrazol-4-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is GWIUUORDMSRIJX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N10/c1-2-15-19-27-25-12-29(19)16-11-22-20(26-18(16)30(15)14-5-3-4-6-14)28-8-7-21-17(28)13-9-23-24-10-13/h7-12,14-15H,2-6H2,1H3,(H,23,24)/t15-/m1/s1.
What are the key properties of (4R)-5-cyclopentyl-4-ethyl-7-[2-(1H-pyrazol-4-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine?
(4R)-5-cyclopentyl-4-ethyl-7-[2-(1H-pyrazol-4-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 402.47 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-cyclopentyl-4-ethyl-7-[2-(1H-pyrazol-4-yl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 67498562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).