tert-butyl N-[[4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]methyl]carbamate

C25H32N8O2 — CID 77406461

IUPACtert-butyl N-[[4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]methyl]carbamate
SMILESCCC1c2nncn2-c2cnc(-c3ccncc3CNC(=O)OC(C)(C)C)nc2N1C1CCCC1
InChIInChI=1S/C25H32N8O2/c1-5-19-23-31-29-15-32(23)20-14-27-21(30-22(20)33(19)17-8-6-7-9-17)18-10-11-26-12-16(18)13-28-24(34)35-25(2,3)4/h10-12,14-15,17,19H,5-9,13H2,1-4H3,(H,28,34)
InChIKeySAXSAVUDMQUGPY-UHFFFAOYSA-N
MW476.59 g/mol
LogP4.36
Rot. Bonds5

About tert-butyl N-[[4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]methyl]carbamate

tert-butyl N-[[4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]methyl]carbamate (PubChem CID 77406461) has the molecular formula C25H32N8O2 and a molecular weight of 476.59 g/mol. Its IUPAC name is tert-butyl N-[[4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]methyl]carbamate
PubChem CID77406461
Molecular FormulaC25H32N8O2
Molecular Weight476.59 g/mol
Exact Mass476.26
IUPAC Nametert-butyl N-[[4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]methyl]carbamate
SMILESCCC1c2nncn2-c2cnc(-c3ccncc3CNC(=O)OC(C)(C)C)nc2N1C1CCCC1
InChIInChI=1S/C25H32N8O2/c1-5-19-23-31-29-15-32(23)20-14-27-21(30-22(20)33(19)17-8-6-7-9-17)18-10-11-26-12-16(18)13-28-24(34)35-25(2,3)4/h10-12,14-15,17,19H,5-9,13H2,1-4H3,(H,28,34)
InChIKeySAXSAVUDMQUGPY-UHFFFAOYSA-N
XLogP4.36
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.59
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[[4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]methyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

methyl N-[[4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-3-pyridinyl]methyl]carbamate
CID 77446170
N-[[4-[(4R)-5-cyclopentyl-4-ethyl-9-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-3-pyridinyl]methyl]benzamide
CID 66979966
tert-butyl N-[[4-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-3-pyridinyl]methyl]carbamate
CID 140580364
(4R)-5-cyclopentyl-4-ethyl-7-(2-pyridin-4-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979410
(4R)-5-cyclopentyl-4-ethyl-7-(1-oxidopyridin-1-ium-4-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499872
N,5-dicyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
CID 66672557
5-cyclopentyl-4-ethyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979490
5-cyclobutyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
CID 141194019
4-[(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)amino]-3-methoxy-N-methylbenzamide
CID 66672556
5-cyclopentyl-4-ethyl-7-(2-pyrrolidin-1-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499398
(4R)-5-cyclopentyl-4-ethyl-7-(4-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979263
(4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979801

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]methyl]carbamate (CID 77406461) is tert-butyl N-[[4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]methyl]carbamate is CCC1c2nncn2-c2cnc(-c3ccncc3CNC(=O)OC(C)(C)C)nc2N1C1CCCC1.
What is the InChIKey of tert-butyl N-[[4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]methyl]carbamate?
The InChIKey is SAXSAVUDMQUGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O2/c1-5-19-23-31-29-15-32(23)20-14-27-21(30-22(20)33(19)17-8-6-7-9-17)18-10-11-26-12-16(18)13-28-24(34)35-25(2,3)4/h10-12,14-15,17,19H,5-9,13H2,1-4H3,(H,28,34).
What are the key properties of tert-butyl N-[[4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]methyl]carbamate?
tert-butyl N-[[4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]methyl]carbamate has a molecular weight of 476.59 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]methyl]carbamate is sourced from PubChem (CID 77406461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).