naphthalen-2-yl-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone

C25H21N7O — CID 42523067

IUPACnaphthalen-2-yl-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2ccccc2c1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1
InChIInChI=1S/C25H21N7O/c33-25(20-11-10-18-6-4-5-7-19(18)16-20)31-14-12-30(13-15-31)23-22-24(27-17-26-23)32(29-28-22)21-8-2-1-3-9-21/h1-11,16-17H,12-15H2
InChIKeyFKCAWXQNGMUDFF-UHFFFAOYSA-N
MW435.49 g/mol
LogP3.33
Rot. Bonds3

About naphthalen-2-yl-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone

naphthalen-2-yl-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone (PubChem CID 42523067) has the molecular formula C25H21N7O and a molecular weight of 435.49 g/mol. Its IUPAC name is naphthalen-2-yl-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namenaphthalen-2-yl-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
PubChem CID42523067
Molecular FormulaC25H21N7O
Molecular Weight435.49 g/mol
Exact Mass435.18
IUPAC Namenaphthalen-2-yl-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2ccccc2c1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1
InChIInChI=1S/C25H21N7O/c33-25(20-11-10-18-6-4-5-7-19(18)16-20)31-14-12-30(13-15-31)23-22-24(27-17-26-23)32(29-28-22)21-8-2-1-3-9-21/h1-11,16-17H,12-15H2
InChIKeyFKCAWXQNGMUDFF-UHFFFAOYSA-N
XLogP3.33
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone?
The IUPAC name of naphthalen-2-yl-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone (CID 42523067) is naphthalen-2-yl-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone.
What is the SMILES notation for naphthalen-2-yl-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone?
The canonical SMILES for naphthalen-2-yl-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone is O=C(c1ccc2ccccc2c1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1.
What is the InChIKey of naphthalen-2-yl-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone?
The InChIKey is FKCAWXQNGMUDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O/c33-25(20-11-10-18-6-4-5-7-19(18)16-20)31-14-12-30(13-15-31)23-22-24(27-17-26-23)32(29-28-22)21-8-2-1-3-9-21/h1-11,16-17H,12-15H2.
What are the key properties of naphthalen-2-yl-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone?
naphthalen-2-yl-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone has a molecular weight of 435.49 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl-[4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 42523067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).