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

C25H26ClF2N7 — CID 146661755

IUPAC6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine
SMILESCCN1CCN(CCNc2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)c(F)cc4F)nc3c2)CC1
InChIInChI=1S/C25H26ClF2N7/c1-2-34-7-9-35(10-8-34)6-5-29-16-11-24-23(30-14-16)4-3-22(32-24)18-15-31-33-25(18)17-12-19(26)21(28)13-20(17)27/h3-4,11-15,29H,2,5-10H2,1H3,(H,31,33)
InChIKeyBCJHEZCMSAKGTO-UHFFFAOYSA-N
MW497.98 g/mol
LogP4.67
Rot. Bonds7

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

6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine (PubChem CID 146661755) has the molecular formula C25H26ClF2N7 and a molecular weight of 497.98 g/mol. Its IUPAC name is 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine.

Molecular Properties

Compound Name6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine
PubChem CID146661755
Molecular FormulaC25H26ClF2N7
Molecular Weight497.98 g/mol
Exact Mass497.19
IUPAC Name6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine
SMILESCCN1CCN(CCNc2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)c(F)cc4F)nc3c2)CC1
InChIInChI=1S/C25H26ClF2N7/c1-2-34-7-9-35(10-8-34)6-5-29-16-11-24-23(30-14-16)4-3-22(32-24)18-15-31-33-25(18)17-12-19(26)21(28)13-20(17)27/h3-4,11-15,29H,2,5-10H2,1H3,(H,31,33)
InChIKeyBCJHEZCMSAKGTO-UHFFFAOYSA-N
XLogP4.67
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.98
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-(4-ethylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine?
The IUPAC name of 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine (CID 146661755) is 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine.
What is the SMILES notation for 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine?
The canonical SMILES for 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine is CCN1CCN(CCNc2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)c(F)cc4F)nc3c2)CC1.
What is the InChIKey of 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine?
The InChIKey is BCJHEZCMSAKGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClF2N7/c1-2-34-7-9-35(10-8-34)6-5-29-16-11-24-23(30-14-16)4-3-22(32-24)18-15-31-33-25(18)17-12-19(26)21(28)13-20(17)27/h3-4,11-15,29H,2,5-10H2,1H3,(H,31,33).
What are the key properties of 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine?
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine has a molecular weight of 497.98 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine is sourced from PubChem (CID 146661755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).