2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine

C22H17ClFN5 — CID 146661691

IUPAC2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine
SMILESCN1CC=C(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)C1
InChIInChI=1S/C22H17ClFN5/c1-29-7-6-13(12-29)14-8-21-20(25-10-14)5-4-19(27-21)17-11-26-28-22(17)16-9-15(23)2-3-18(16)24/h2-6,8-11H,7,12H2,1H3,(H,26,28)
InChIKeyZEPMFLGEGIKCSV-UHFFFAOYSA-N
MW405.86 g/mol
LogP4.81
Rot. Bonds3

About 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine

2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine (PubChem CID 146661691) has the molecular formula C22H17ClFN5 and a molecular weight of 405.86 g/mol. Its IUPAC name is 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine
PubChem CID146661691
Molecular FormulaC22H17ClFN5
Molecular Weight405.86 g/mol
Exact Mass405.12
IUPAC Name2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine
SMILESCN1CC=C(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)C1
InChIInChI=1S/C22H17ClFN5/c1-29-7-6-13(12-29)14-8-21-20(25-10-14)5-4-19(27-21)17-11-26-28-22(17)16-9-15(23)2-3-18(16)24/h2-6,8-11H,7,12H2,1H3,(H,26,28)
InChIKeyZEPMFLGEGIKCSV-UHFFFAOYSA-N
XLogP4.81
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine?
The IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine (CID 146661691) is 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine.
What is the SMILES notation for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine?
The canonical SMILES for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine is CN1CC=C(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)C1.
What is the InChIKey of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine?
The InChIKey is ZEPMFLGEGIKCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN5/c1-29-7-6-13(12-29)14-8-21-20(25-10-14)5-4-19(27-21)17-11-26-28-22(17)16-9-15(23)2-3-18(16)24/h2-6,8-11H,7,12H2,1H3,(H,26,28).
What are the key properties of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine?
2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine has a molecular weight of 405.86 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine is sourced from PubChem (CID 146661691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).