6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,5-naphthyridin-3-amine

C22H19ClF2N6 — CID 146661917

IUPAC6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,5-naphthyridin-3-amine
SMILESCN(c1cnc2ccc(-c3cn[nH]c3-c3cc(Cl)c(F)cc3F)nc2c1)[C@@H]1CCNC1
InChIInChI=1S/C22H19ClF2N6/c1-31(12-4-5-26-9-12)13-6-21-20(27-10-13)3-2-19(29-21)15-11-28-30-22(15)14-7-16(23)18(25)8-17(14)24/h2-3,6-8,10-12,26H,4-5,9H2,1H3,(H,28,30)/t12-/m1/s1
InChIKeyWBYODULGNVUCCW-GFCCVEGCSA-N
MW440.89 g/mol
LogP4.42
Rot. Bonds4

About 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,5-naphthyridin-3-amine

6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,5-naphthyridin-3-amine (PubChem CID 146661917) has the molecular formula C22H19ClF2N6 and a molecular weight of 440.89 g/mol. Its IUPAC name is 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,5-naphthyridin-3-amine.

Molecular Properties

Compound Name6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,5-naphthyridin-3-amine
PubChem CID146661917
Molecular FormulaC22H19ClF2N6
Molecular Weight440.89 g/mol
Exact Mass440.13
IUPAC Name6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,5-naphthyridin-3-amine
SMILESCN(c1cnc2ccc(-c3cn[nH]c3-c3cc(Cl)c(F)cc3F)nc2c1)[C@@H]1CCNC1
InChIInChI=1S/C22H19ClF2N6/c1-31(12-4-5-26-9-12)13-6-21-20(27-10-13)3-2-19(29-21)15-11-28-30-22(15)14-7-16(23)18(25)8-17(14)24/h2-3,6-8,10-12,26H,4-5,9H2,1H3,(H,28,30)/t12-/m1/s1
InChIKeyWBYODULGNVUCCW-GFCCVEGCSA-N
XLogP4.42
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.89
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine
CID 146662239
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[(2R)-piperidin-2-yl]methyl]-1,5-naphthyridin-3-amine
CID 146661784
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridin-3-amine
CID 146661817
N-[2-[4-[6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethyl]propan-2-amine
CID 146661928
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-1,5-naphthyridin-3-amine
CID 146661905
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
6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine
CID 146661847
N-[1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]azetidin-3-yl]methanimine
CID 149452717
7-(3-azabicyclo[3.2.0]heptan-3-yl)-2-[5-(5-chloro-2,4-difluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridine
CID 157093113
6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-N-piperidin-4-yl-1,5-naphthyridin-3-amine
CID 167366791
6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-1,5-naphthyridin-3-amine
CID 146662257
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

Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,5-naphthyridin-3-amine?
The IUPAC name of 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,5-naphthyridin-3-amine (CID 146661917) is 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,5-naphthyridin-3-amine.
What is the SMILES notation for 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,5-naphthyridin-3-amine?
The canonical SMILES for 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,5-naphthyridin-3-amine is CN(c1cnc2ccc(-c3cn[nH]c3-c3cc(Cl)c(F)cc3F)nc2c1)[C@@H]1CCNC1.
What is the InChIKey of 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,5-naphthyridin-3-amine?
The InChIKey is WBYODULGNVUCCW-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H19ClF2N6/c1-31(12-4-5-26-9-12)13-6-21-20(27-10-13)3-2-19(29-21)15-11-28-30-22(15)14-7-16(23)18(25)8-17(14)24/h2-3,6-8,10-12,26H,4-5,9H2,1H3,(H,28,30)/t12-/m1/s1.
What are the key properties of 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,5-naphthyridin-3-amine?
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,5-naphthyridin-3-amine has a molecular weight of 440.89 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,5-naphthyridin-3-amine is sourced from PubChem (CID 146661917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).