7-[2-(4-benzylpiperazin-1-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine

C33H30ClFN10 — CID 146661689

IUPAC7-[2-(4-benzylpiperazin-1-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
SMILESFc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(N3CCn4nc(N5CCN(Cc6ccccc6)CC5)nc4C3)cc2n1
InChIInChI=1S/C33H30ClFN10/c34-23-6-7-27(35)25(16-23)32-26(19-37-40-32)28-8-9-29-30(38-28)17-24(18-36-29)44-14-15-45-31(21-44)39-33(41-45)43-12-10-42(11-13-43)20-22-4-2-1-3-5-22/h1-9,16-19H,10-15,20-21H2,(H,37,40)
InChIKeyRGBDDFTZHGHHIV-UHFFFAOYSA-N
MW621.12 g/mol
LogP5.41
Rot. Bonds6

About 7-[2-(4-benzylpiperazin-1-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine

7-[2-(4-benzylpiperazin-1-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 146661689) has the molecular formula C33H30ClFN10 and a molecular weight of 621.12 g/mol. Its IUPAC name is 7-[2-(4-benzylpiperazin-1-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name7-[2-(4-benzylpiperazin-1-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
PubChem CID146661689
Molecular FormulaC33H30ClFN10
Molecular Weight621.12 g/mol
Exact Mass620.23
IUPAC Name7-[2-(4-benzylpiperazin-1-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
SMILESFc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(N3CCn4nc(N5CCN(Cc6ccccc6)CC5)nc4C3)cc2n1
InChIInChI=1S/C33H30ClFN10/c34-23-6-7-27(35)25(16-23)32-26(19-37-40-32)28-8-9-29-30(38-28)17-24(18-36-29)44-14-15-45-31(21-44)39-33(41-45)43-12-10-42(11-13-43)20-22-4-2-1-3-5-22/h1-9,16-19H,10-15,20-21H2,(H,37,40)
InChIKeyRGBDDFTZHGHHIV-UHFFFAOYSA-N
XLogP5.41
TPSA94.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.12
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[2-(4-benzylpiperazin-1-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-benzylpiperazin-1-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 7-[2-(4-benzylpiperazin-1-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine (CID 146661689) is 7-[2-(4-benzylpiperazin-1-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 7-[2-(4-benzylpiperazin-1-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 7-[2-(4-benzylpiperazin-1-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine is Fc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(N3CCn4nc(N5CCN(Cc6ccccc6)CC5)nc4C3)cc2n1.
What is the InChIKey of 7-[2-(4-benzylpiperazin-1-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is RGBDDFTZHGHHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30ClFN10/c34-23-6-7-27(35)25(16-23)32-26(19-37-40-32)28-8-9-29-30(38-28)17-24(18-36-29)44-14-15-45-31(21-44)39-33(41-45)43-12-10-42(11-13-43)20-22-4-2-1-3-5-22/h1-9,16-19H,10-15,20-21H2,(H,37,40).
What are the key properties of 7-[2-(4-benzylpiperazin-1-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine?
7-[2-(4-benzylpiperazin-1-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 621.12 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-benzylpiperazin-1-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 146661689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).