2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[2-(1-methyl-2,5-dihydropyrrol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1,5-naphthyridine

C27H23ClFN9 — CID 146661702

IUPAC2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[2-(1-methyl-2,5-dihydropyrrol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1,5-naphthyridine
SMILESCN1CC=C(c2nc3n(n2)CCN(c2cnc4ccc(-c5cn[nH]c5-c5cc(Cl)ccc5F)nc4c2)C3)C1
InChIInChI=1S/C27H23ClFN9/c1-36-7-6-16(14-36)27-33-25-15-37(8-9-38(25)35-27)18-11-24-23(30-12-18)5-4-22(32-24)20-13-31-34-26(20)19-10-17(28)2-3-21(19)29/h2-6,10-13H,7-9,14-15H2,1H3,(H,31,34)
InChIKeyFHSXFORQEUMEMV-UHFFFAOYSA-N
MW528.00 g/mol
LogP4.42
Rot. Bonds4

About 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[2-(1-methyl-2,5-dihydropyrrol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1,5-naphthyridine

2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[2-(1-methyl-2,5-dihydropyrrol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1,5-naphthyridine (PubChem CID 146661702) has the molecular formula C27H23ClFN9 and a molecular weight of 528.00 g/mol. Its IUPAC name is 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[2-(1-methyl-2,5-dihydropyrrol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[2-(1-methyl-2,5-dihydropyrrol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1,5-naphthyridine
PubChem CID146661702
Molecular FormulaC27H23ClFN9
Molecular Weight528.00 g/mol
Exact Mass527.17
IUPAC Name2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[2-(1-methyl-2,5-dihydropyrrol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1,5-naphthyridine
SMILESCN1CC=C(c2nc3n(n2)CCN(c2cnc4ccc(-c5cn[nH]c5-c5cc(Cl)ccc5F)nc4c2)C3)C1
InChIInChI=1S/C27H23ClFN9/c1-36-7-6-16(14-36)27-33-25-15-37(8-9-38(25)35-27)18-11-24-23(30-12-18)5-4-22(32-24)20-13-31-34-26(20)19-10-17(28)2-3-21(19)29/h2-6,10-13H,7-9,14-15H2,1H3,(H,31,34)
InChIKeyFHSXFORQEUMEMV-UHFFFAOYSA-N
XLogP4.42
TPSA91.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.00
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[2-(1-methyl-2,5-dihydropyrrol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1,5-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[2-(1-methyl-2,5-dihydropyrrol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1,5-naphthyridine?
The IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[2-(1-methyl-2,5-dihydropyrrol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1,5-naphthyridine (CID 146661702) is 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[2-(1-methyl-2,5-dihydropyrrol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[2-(1-methyl-2,5-dihydropyrrol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1,5-naphthyridine?
The canonical SMILES for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[2-(1-methyl-2,5-dihydropyrrol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1,5-naphthyridine is CN1CC=C(c2nc3n(n2)CCN(c2cnc4ccc(-c5cn[nH]c5-c5cc(Cl)ccc5F)nc4c2)C3)C1.
What is the InChIKey of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[2-(1-methyl-2,5-dihydropyrrol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1,5-naphthyridine?
The InChIKey is FHSXFORQEUMEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClFN9/c1-36-7-6-16(14-36)27-33-25-15-37(8-9-38(25)35-27)18-11-24-23(30-12-18)5-4-22(32-24)20-13-31-34-26(20)19-10-17(28)2-3-21(19)29/h2-6,10-13H,7-9,14-15H2,1H3,(H,31,34).
What are the key properties of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[2-(1-methyl-2,5-dihydropyrrol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1,5-naphthyridine?
2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[2-(1-methyl-2,5-dihydropyrrol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1,5-naphthyridine has a molecular weight of 528.00 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[2-(1-methyl-2,5-dihydropyrrol-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1,5-naphthyridine is sourced from PubChem (CID 146661702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).