5-(cyclohexylcarbamoylamino)-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide

C25H27N7O3 — CID 118707849

IUPAC5-(cyclohexylcarbamoylamino)-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
SMILESO=C(Nc1ncc(C(=O)NCCc2ccccc2)c2nc(-c3ccco3)nn12)NC1CCCCC1
InChIInChI=1S/C25H27N7O3/c33-23(26-14-13-17-8-3-1-4-9-17)19-16-27-24(30-25(34)28-18-10-5-2-6-11-18)32-22(19)29-21(31-32)20-12-7-15-35-20/h1,3-4,7-9,12,15-16,18H,2,5-6,10-11,13-14H2,(H,26,33)(H2,27,28,30,34)
InChIKeyDFSSZVWKIQRZFF-UHFFFAOYSA-N
MW473.54 g/mol
LogP3.81
Rot. Bonds7

About 5-(cyclohexylcarbamoylamino)-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide

5-(cyclohexylcarbamoylamino)-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide (PubChem CID 118707849) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is 5-(cyclohexylcarbamoylamino)-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylcarbamoylamino)-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
PubChem CID118707849
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC Name5-(cyclohexylcarbamoylamino)-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
SMILESO=C(Nc1ncc(C(=O)NCCc2ccccc2)c2nc(-c3ccco3)nn12)NC1CCCCC1
InChIInChI=1S/C25H27N7O3/c33-23(26-14-13-17-8-3-1-4-9-17)19-16-27-24(30-25(34)28-18-10-5-2-6-11-18)32-22(19)29-21(31-32)20-12-7-15-35-20/h1,3-4,7-9,12,15-16,18H,2,5-6,10-11,13-14H2,(H,26,33)(H2,27,28,30,34)
InChIKeyDFSSZVWKIQRZFF-UHFFFAOYSA-N
XLogP3.81
TPSA126.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-Furanyl)-7-(2-phenylethyl)-7H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine
CID 176408
7H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine, 2-(2-furanyl)-7-(3-(4-methoxyphenyl)propyl)-
CID 10668061
Mre 3008-F20
CID 5310960
(11C)Sch 442416
CID 11794633
2-(2-Furanyl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 9798914
HCAR2 agonist 1
CID 25101223
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methoxyphenyl)urea
CID 9801343
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-pyridin-4-ylurea;hydrochloride
CID 9887858
5-[[(4-Pyridyl)-amino]carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine
CID 9887859
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-phenylurea
CID 9929470
5-[[(4-Methoxyphenyl)amino]carbonyl]amino-8-ethyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine
CID 9953799
2-(Furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10216903

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylcarbamoylamino)-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
The IUPAC name of 5-(cyclohexylcarbamoylamino)-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide (CID 118707849) is 5-(cyclohexylcarbamoylamino)-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 5-(cyclohexylcarbamoylamino)-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
The canonical SMILES for 5-(cyclohexylcarbamoylamino)-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide is O=C(Nc1ncc(C(=O)NCCc2ccccc2)c2nc(-c3ccco3)nn12)NC1CCCCC1.
What is the InChIKey of 5-(cyclohexylcarbamoylamino)-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
The InChIKey is DFSSZVWKIQRZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c33-23(26-14-13-17-8-3-1-4-9-17)19-16-27-24(30-25(34)28-18-10-5-2-6-11-18)32-22(19)29-21(31-32)20-12-7-15-35-20/h1,3-4,7-9,12,15-16,18H,2,5-6,10-11,13-14H2,(H,26,33)(H2,27,28,30,34).
What are the key properties of 5-(cyclohexylcarbamoylamino)-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?
5-(cyclohexylcarbamoylamino)-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylcarbamoylamino)-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 118707849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).