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

C22H19ClF2N6 — CID 146661768

IUPAC6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-piperidin-4-yl-1,5-naphthyridin-3-amine
SMILESFc1cc(F)c(-c2[nH]ncc2-c2ccc3ncc(NC4CCNCC4)cc3n2)cc1Cl
InChIInChI=1S/C22H19ClF2N6/c23-16-8-14(17(24)9-18(16)25)22-15(11-28-31-22)19-1-2-20-21(30-19)7-13(10-27-20)29-12-3-5-26-6-4-12/h1-2,7-12,26,29H,3-6H2,(H,28,31)
InChIKeyXOFCYZBGNOJQKH-UHFFFAOYSA-N
MW440.89 g/mol
LogP4.78
Rot. Bonds4

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

6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-piperidin-4-yl-1,5-naphthyridin-3-amine (PubChem CID 146661768) 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-piperidin-4-yl-1,5-naphthyridin-3-amine.

Molecular Properties

Compound Name6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-piperidin-4-yl-1,5-naphthyridin-3-amine
PubChem CID146661768
Molecular FormulaC22H19ClF2N6
Molecular Weight440.89 g/mol
Exact Mass440.13
IUPAC Name6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-piperidin-4-yl-1,5-naphthyridin-3-amine
SMILESFc1cc(F)c(-c2[nH]ncc2-c2ccc3ncc(NC4CCNCC4)cc3n2)cc1Cl
InChIInChI=1S/C22H19ClF2N6/c23-16-8-14(17(24)9-18(16)25)22-15(11-28-31-22)19-1-2-20-21(30-19)7-13(10-27-20)29-12-3-5-26-6-4-12/h1-2,7-12,26,29H,3-6H2,(H,28,31)
InChIKeyXOFCYZBGNOJQKH-UHFFFAOYSA-N
XLogP4.78
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.89
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-piperidin-4-yl-1,5-naphthyridin-3-amine?
The IUPAC name of 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-piperidin-4-yl-1,5-naphthyridin-3-amine (CID 146661768) is 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-piperidin-4-yl-1,5-naphthyridin-3-amine.
What is the SMILES notation for 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-piperidin-4-yl-1,5-naphthyridin-3-amine?
The canonical SMILES for 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-piperidin-4-yl-1,5-naphthyridin-3-amine is Fc1cc(F)c(-c2[nH]ncc2-c2ccc3ncc(NC4CCNCC4)cc3n2)cc1Cl.
What is the InChIKey of 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-piperidin-4-yl-1,5-naphthyridin-3-amine?
The InChIKey is XOFCYZBGNOJQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N6/c23-16-8-14(17(24)9-18(16)25)22-15(11-28-31-22)19-1-2-20-21(30-19)7-13(10-27-20)29-12-3-5-26-6-4-12/h1-2,7-12,26,29H,3-6H2,(H,28,31).
What are the key properties of 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-piperidin-4-yl-1,5-naphthyridin-3-amine?
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-piperidin-4-yl-1,5-naphthyridin-3-amine has a molecular weight of 440.89 g/mol, XLogP of 4.78, 4 rotatable bonds, 3 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-piperidin-4-yl-1,5-naphthyridin-3-amine is sourced from PubChem (CID 146661768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).