6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine

C27H24ClFN8 — CID 146661887

IUPAC6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine
SMILESCN1CCN(c2ccc(Nc3cnc4ccc(-c5[nH]cnc5-c5cc(Cl)ccc5F)nc4c3)nc2)CC1
InChIInChI=1S/C27H24ClFN8/c1-36-8-10-37(11-9-36)19-3-7-25(31-15-19)34-18-13-24-22(30-14-18)5-6-23(35-24)27-26(32-16-33-27)20-12-17(28)2-4-21(20)29/h2-7,12-16H,8-11H2,1H3,(H,31,34)(H,32,33)
InChIKeyCKGLTXPQNGQMMH-UHFFFAOYSA-N
MW515.00 g/mol
LogP5.37
Rot. Bonds5

About 6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine

6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine (PubChem CID 146661887) has the molecular formula C27H24ClFN8 and a molecular weight of 515.00 g/mol. Its IUPAC name is 6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine.

Molecular Properties

Compound Name6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine
PubChem CID146661887
Molecular FormulaC27H24ClFN8
Molecular Weight515.00 g/mol
Exact Mass514.18
IUPAC Name6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine
SMILESCN1CCN(c2ccc(Nc3cnc4ccc(-c5[nH]cnc5-c5cc(Cl)ccc5F)nc4c3)nc2)CC1
InChIInChI=1S/C27H24ClFN8/c1-36-8-10-37(11-9-36)19-3-7-25(31-15-19)34-18-13-24-22(30-14-18)5-6-23(35-24)27-26(32-16-33-27)20-12-17(28)2-4-21(20)29/h2-7,12-16H,8-11H2,1H3,(H,31,34)(H,32,33)
InChIKeyCKGLTXPQNGQMMH-UHFFFAOYSA-N
XLogP5.37
TPSA85.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.00
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine?
The IUPAC name of 6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine (CID 146661887) is 6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine.
What is the SMILES notation for 6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine?
The canonical SMILES for 6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine is CN1CCN(c2ccc(Nc3cnc4ccc(-c5[nH]cnc5-c5cc(Cl)ccc5F)nc4c3)nc2)CC1.
What is the InChIKey of 6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine?
The InChIKey is CKGLTXPQNGQMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN8/c1-36-8-10-37(11-9-36)19-3-7-25(31-15-19)34-18-13-24-22(30-14-18)5-6-23(35-24)27-26(32-16-33-27)20-12-17(28)2-4-21(20)29/h2-7,12-16H,8-11H2,1H3,(H,31,34)(H,32,33).
What are the key properties of 6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine?
6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine has a molecular weight of 515.00 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine is sourced from PubChem (CID 146661887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).