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

C24H17ClF2N6 — CID 159497148

IUPAC2-[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
SMILESFc1cc(F)c(C2=NCC=C2c2ccc3ncc(-c4cc5n(n4)CCNC5)cc3n2)cc1Cl
InChIInChI=1S/C24H17ClF2N6/c25-17-9-16(18(26)10-19(17)27)24-15(3-4-29-24)20-1-2-21-23(31-20)7-13(11-30-21)22-8-14-12-28-5-6-33(14)32-22/h1-3,7-11,28H,4-6,12H2
InChIKeyLYXSZVUZNQJFIN-UHFFFAOYSA-N
MW462.89 g/mol
LogP4.41
Rot. Bonds3

About 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

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 (PubChem CID 159497148) has the molecular formula C24H17ClF2N6 and a molecular weight of 462.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID159497148
Molecular FormulaC24H17ClF2N6
Molecular Weight462.89 g/mol
Exact Mass462.12
IUPAC Name2-[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
SMILESFc1cc(F)c(C2=NCC=C2c2ccc3ncc(-c4cc5n(n4)CCNC5)cc3n2)cc1Cl
InChIInChI=1S/C24H17ClF2N6/c25-17-9-16(18(26)10-19(17)27)24-15(3-4-29-24)20-1-2-21-23(31-20)7-13(11-30-21)22-8-14-12-28-5-6-33(14)32-22/h1-3,7-11,28H,4-6,12H2
InChIKeyLYXSZVUZNQJFIN-UHFFFAOYSA-N
XLogP4.41
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.89
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Fc1cc(F)c(C2=NCC=C2c2ccc3ncc(-c4cc5n(n4)CCNC5)cc3n2)cc1Cl.
What is the InChIKey of 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?
The InChIKey is LYXSZVUZNQJFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF2N6/c25-17-9-16(18(26)10-19(17)27)24-15(3-4-29-24)20-1-2-21-23(31-20)7-13(11-30-21)22-8-14-12-28-5-6-33(14)32-22/h1-3,7-11,28H,4-6,12H2.
What are the key properties of 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?
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 has a molecular weight of 462.89 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159497148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).