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

C23H22ClFN6 — CID 146661734

IUPAC6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,5-naphthyridin-3-amine
SMILESCN1CCC(N(C)c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)C1
InChIInChI=1S/C23H22ClFN6/c1-30-8-7-15(13-30)31(2)16-10-22-21(26-11-16)6-5-20(28-22)18-12-27-29-23(18)17-9-14(24)3-4-19(17)25/h3-6,9-12,15H,7-8,13H2,1-2H3,(H,27,29)
InChIKeyPQTCUTUTMFMJRQ-UHFFFAOYSA-N
MW436.92 g/mol
LogP4.62
Rot. Bonds4

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

6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,5-naphthyridin-3-amine (PubChem CID 146661734) has the molecular formula C23H22ClFN6 and a molecular weight of 436.92 g/mol. Its IUPAC name is 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,5-naphthyridin-3-amine.

Molecular Properties

Compound Name6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,5-naphthyridin-3-amine
PubChem CID146661734
Molecular FormulaC23H22ClFN6
Molecular Weight436.92 g/mol
Exact Mass436.16
IUPAC Name6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,5-naphthyridin-3-amine
SMILESCN1CCC(N(C)c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)C1
InChIInChI=1S/C23H22ClFN6/c1-30-8-7-15(13-30)31(2)16-10-22-21(26-11-16)6-5-20(28-22)18-12-27-29-23(18)17-9-14(24)3-4-19(17)25/h3-6,9-12,15H,7-8,13H2,1-2H3,(H,27,29)
InChIKeyPQTCUTUTMFMJRQ-UHFFFAOYSA-N
XLogP4.62
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,5-naphthyridin-3-amine?
The IUPAC name of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,5-naphthyridin-3-amine (CID 146661734) is 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,5-naphthyridin-3-amine.
What is the SMILES notation for 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,5-naphthyridin-3-amine?
The canonical SMILES for 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,5-naphthyridin-3-amine is CN1CCC(N(C)c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)C1.
What is the InChIKey of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,5-naphthyridin-3-amine?
The InChIKey is PQTCUTUTMFMJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN6/c1-30-8-7-15(13-30)31(2)16-10-22-21(26-11-16)6-5-20(28-22)18-12-27-29-23(18)17-9-14(24)3-4-19(17)25/h3-6,9-12,15H,7-8,13H2,1-2H3,(H,27,29).
What are the key properties of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,5-naphthyridin-3-amine?
6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,5-naphthyridin-3-amine has a molecular weight of 436.92 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,5-naphthyridin-3-amine is sourced from PubChem (CID 146661734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).