N-(2-methoxyphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide

C23H23N7O2 — CID 646889

IUPACN-(2-methoxyphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1
InChIInChI=1S/C23H23N7O2/c1-32-20-10-6-5-9-18(20)27-23(31)29-13-11-28(12-14-29)21-15-19(17-7-3-2-4-8-17)26-22-24-16-25-30(21)22/h2-10,15-16H,11-14H2,1H3,(H,27,31)
InChIKeyKSBPXWHAVZFDEM-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.15
Rot. Bonds4

About N-(2-methoxyphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide

N-(2-methoxyphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide (PubChem CID 646889) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide
PubChem CID646889
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC NameN-(2-methoxyphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1
InChIInChI=1S/C23H23N7O2/c1-32-20-10-6-5-9-18(20)27-23(31)29-13-11-28(12-14-29)21-15-19(17-7-3-2-4-8-17)26-22-24-16-25-30(21)22/h2-10,15-16H,11-14H2,1H3,(H,27,31)
InChIKeyKSBPXWHAVZFDEM-UHFFFAOYSA-N
XLogP3.15
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide (CID 646889) is N-(2-methoxyphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide is COc1ccccc1NC(=O)N1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide?
The InChIKey is KSBPXWHAVZFDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-32-20-10-6-5-9-18(20)27-23(31)29-13-11-28(12-14-29)21-15-19(17-7-3-2-4-8-17)26-22-24-16-25-30(21)22/h2-10,15-16H,11-14H2,1H3,(H,27,31).
What are the key properties of N-(2-methoxyphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide?
N-(2-methoxyphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide is sourced from PubChem (CID 646889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).