1-(cyclopropylmethyl)-4-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperazin-2-one

C23H21FN6O — CID 10201996

IUPAC1-(cyclopropylmethyl)-4-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperazin-2-one
SMILESO=C1CN(c2nc3c(-c4ccccc4F)nnn3c3ccccc23)CCN1CC1CC1
InChIInChI=1S/C23H21FN6O/c24-18-7-3-1-5-16(18)21-23-25-22(17-6-2-4-8-19(17)30(23)27-26-21)29-12-11-28(20(31)14-29)13-15-9-10-15/h1-8,15H,9-14H2
InChIKeyHIOCLGPSARCKIP-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.14
Rot. Bonds4

About 1-(cyclopropylmethyl)-4-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperazin-2-one

1-(cyclopropylmethyl)-4-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperazin-2-one (PubChem CID 10201996) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperazin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperazin-2-one
PubChem CID10201996
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC Name1-(cyclopropylmethyl)-4-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperazin-2-one
SMILESO=C1CN(c2nc3c(-c4ccccc4F)nnn3c3ccccc23)CCN1CC1CC1
InChIInChI=1S/C23H21FN6O/c24-18-7-3-1-5-16(18)21-23-25-22(17-6-2-4-8-19(17)30(23)27-26-21)29-12-11-28(20(31)14-29)13-15-9-10-15/h1-8,15H,9-14H2
InChIKeyHIOCLGPSARCKIP-UHFFFAOYSA-N
XLogP3.14
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperazin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-4-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperazin-2-one (CID 10201996) is 1-(cyclopropylmethyl)-4-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperazin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperazin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperazin-2-one is O=C1CN(c2nc3c(-c4ccccc4F)nnn3c3ccccc23)CCN1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperazin-2-one?
The InChIKey is HIOCLGPSARCKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O/c24-18-7-3-1-5-16(18)21-23-25-22(17-6-2-4-8-19(17)30(23)27-26-21)29-12-11-28(20(31)14-29)13-15-9-10-15/h1-8,15H,9-14H2.
What are the key properties of 1-(cyclopropylmethyl)-4-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperazin-2-one?
1-(cyclopropylmethyl)-4-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperazin-2-one has a molecular weight of 416.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperazin-2-one is sourced from PubChem (CID 10201996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).