2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine

C23H16ClFN6 — CID 158662851

IUPAC2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine
SMILESFc1ccc(Cl)cc1C1=NCC=C1c1ccc2ncc(-c3[nH]nc4c3CCN4)cc2n1
InChIInChI=1S/C23H16ClFN6/c24-13-1-2-17(25)16(10-13)22-14(5-7-26-22)18-3-4-19-20(29-18)9-12(11-28-19)21-15-6-8-27-23(15)31-30-21/h1-5,9-11H,6-8H2,(H2,27,30,31)
InChIKeyICYZQTLUYOOAOF-UHFFFAOYSA-N
MW430.87 g/mol
LogP4.67
Rot. Bonds3

About 2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine

2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine (PubChem CID 158662851) has the molecular formula C23H16ClFN6 and a molecular weight of 430.87 g/mol. Its IUPAC name is 2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine
PubChem CID158662851
Molecular FormulaC23H16ClFN6
Molecular Weight430.87 g/mol
Exact Mass430.11
IUPAC Name2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine
SMILESFc1ccc(Cl)cc1C1=NCC=C1c1ccc2ncc(-c3[nH]nc4c3CCN4)cc2n1
InChIInChI=1S/C23H16ClFN6/c24-13-1-2-17(25)16(10-13)22-14(5-7-26-22)18-3-4-19-20(29-18)9-12(11-28-19)21-15-6-8-27-23(15)31-30-21/h1-5,9-11H,6-8H2,(H2,27,30,31)
InChIKeyICYZQTLUYOOAOF-UHFFFAOYSA-N
XLogP4.67
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.87
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine with MolForge

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Related Compounds

2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine
CID 167367152
1-[6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine
CID 159042489
2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine
CID 159071166
2-[5-(5-chloro-2,4-difluorophenyl)-2H-pyrrol-4-yl]-7-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1,5-naphthyridine
CID 159497148
2-[4-[6-[5-(3,4-difluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]acetic acid
CID 159851590
6-[5-(5-chloro-2,4-difluorophenyl)-2H-pyrrol-4-yl]-N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-1,5-naphthyridin-3-amine
CID 158575853
3-(3,5-dimethylphenyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
CID 4593273
3-naphthalen-2-yl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
CID 3439346
2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-1,5-naphthyridine
CID 146662005
methyl 2-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1,3-oxazole-4-carboxylate
CID 146662088
N-[1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]azetidin-3-yl]methanimine
CID 149452717
6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine
CID 146661847

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine?
The IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine (CID 158662851) is 2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine.
What is the SMILES notation for 2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine?
The canonical SMILES for 2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine is Fc1ccc(Cl)cc1C1=NCC=C1c1ccc2ncc(-c3[nH]nc4c3CCN4)cc2n1.
What is the InChIKey of 2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine?
The InChIKey is ICYZQTLUYOOAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN6/c24-13-1-2-17(25)16(10-13)22-14(5-7-26-22)18-3-4-19-20(29-18)9-12(11-28-19)21-15-6-8-27-23(15)31-30-21/h1-5,9-11H,6-8H2,(H2,27,30,31).
What are the key properties of 2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine?
2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine has a molecular weight of 430.87 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine is sourced from PubChem (CID 158662851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).