4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyrimidin-8-amine

C21H12ClFN6 — CID 56591953

IUPAC4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyrimidin-8-amine
SMILESNc1nccc2c(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)ncnc12
InChIInChI=1S/C21H12ClFN6/c22-11-3-4-16(23)15(8-11)17-9-14(12-2-1-6-26-21(12)29-17)18-13-5-7-25-20(24)19(13)28-10-27-18/h1-10H,(H2,24,25)
InChIKeyCFLVBYMJMAIIKR-UHFFFAOYSA-N
MW402.82 g/mol
LogP4.68
Rot. Bonds2

About 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyrimidin-8-amine

4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyrimidin-8-amine (PubChem CID 56591953) has the molecular formula C21H12ClFN6 and a molecular weight of 402.82 g/mol. Its IUPAC name is 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyrimidin-8-amine.

Molecular Properties

Compound Name4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyrimidin-8-amine
PubChem CID56591953
Molecular FormulaC21H12ClFN6
Molecular Weight402.82 g/mol
Exact Mass402.08
IUPAC Name4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyrimidin-8-amine
SMILESNc1nccc2c(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)ncnc12
InChIInChI=1S/C21H12ClFN6/c22-11-3-4-16(23)15(8-11)17-9-14(12-2-1-6-26-21(12)29-17)18-13-5-7-25-20(24)19(13)28-10-27-18/h1-10H,(H2,24,25)
InChIKeyCFLVBYMJMAIIKR-UHFFFAOYSA-N
XLogP4.68
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.82
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyrimidin-8-amine?
The IUPAC name of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyrimidin-8-amine (CID 56591953) is 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyrimidin-8-amine.
What is the SMILES notation for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyrimidin-8-amine?
The canonical SMILES for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyrimidin-8-amine is Nc1nccc2c(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)ncnc12.
What is the InChIKey of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyrimidin-8-amine?
The InChIKey is CFLVBYMJMAIIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClFN6/c22-11-3-4-16(23)15(8-11)17-9-14(12-2-1-6-26-21(12)29-17)18-13-5-7-25-20(24)19(13)28-10-27-18/h1-10H,(H2,24,25).
What are the key properties of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyrimidin-8-amine?
4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyrimidin-8-amine has a molecular weight of 402.82 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyrimidin-8-amine is sourced from PubChem (CID 56591953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).