4-[8-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]-1,5-naphthyridin-2-yl]-2-chloro-6-fluorophenol

C24H22ClFN6O — CID 154015031

IUPAC4-[8-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]-1,5-naphthyridin-2-yl]-2-chloro-6-fluorophenol
SMILESNC1CCCN(c2ccc(Nc3ccnc4ccc(-c5cc(F)c(O)c(Cl)c5)nc34)cn2)C1
InChIInChI=1S/C24H22ClFN6O/c25-17-10-14(11-18(26)24(17)33)19-4-5-20-23(31-19)21(7-8-28-20)30-16-3-6-22(29-12-16)32-9-1-2-15(27)13-32/h3-8,10-12,15,33H,1-2,9,13,27H2,(H,28,30)
InChIKeyVSLSSIKZSPATMA-UHFFFAOYSA-N
MW464.93 g/mol
LogP4.86
Rot. Bonds4

About 4-[8-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]-1,5-naphthyridin-2-yl]-2-chloro-6-fluorophenol

4-[8-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]-1,5-naphthyridin-2-yl]-2-chloro-6-fluorophenol (PubChem CID 154015031) has the molecular formula C24H22ClFN6O and a molecular weight of 464.93 g/mol. Its IUPAC name is 4-[8-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]-1,5-naphthyridin-2-yl]-2-chloro-6-fluorophenol.

Molecular Properties

Compound Name4-[8-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]-1,5-naphthyridin-2-yl]-2-chloro-6-fluorophenol
PubChem CID154015031
Molecular FormulaC24H22ClFN6O
Molecular Weight464.93 g/mol
Exact Mass464.15
IUPAC Name4-[8-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]-1,5-naphthyridin-2-yl]-2-chloro-6-fluorophenol
SMILESNC1CCCN(c2ccc(Nc3ccnc4ccc(-c5cc(F)c(O)c(Cl)c5)nc34)cn2)C1
InChIInChI=1S/C24H22ClFN6O/c25-17-10-14(11-18(26)24(17)33)19-4-5-20-23(31-19)21(7-8-28-20)30-16-3-6-22(29-12-16)32-9-1-2-15(27)13-32/h3-8,10-12,15,33H,1-2,9,13,27H2,(H,28,30)
InChIKeyVSLSSIKZSPATMA-UHFFFAOYSA-N
XLogP4.86
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]-1,5-naphthyridin-2-yl]-2-chloro-6-fluorophenol?
The IUPAC name of 4-[8-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]-1,5-naphthyridin-2-yl]-2-chloro-6-fluorophenol (CID 154015031) is 4-[8-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]-1,5-naphthyridin-2-yl]-2-chloro-6-fluorophenol.
What is the SMILES notation for 4-[8-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]-1,5-naphthyridin-2-yl]-2-chloro-6-fluorophenol?
The canonical SMILES for 4-[8-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]-1,5-naphthyridin-2-yl]-2-chloro-6-fluorophenol is NC1CCCN(c2ccc(Nc3ccnc4ccc(-c5cc(F)c(O)c(Cl)c5)nc34)cn2)C1.
What is the InChIKey of 4-[8-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]-1,5-naphthyridin-2-yl]-2-chloro-6-fluorophenol?
The InChIKey is VSLSSIKZSPATMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN6O/c25-17-10-14(11-18(26)24(17)33)19-4-5-20-23(31-19)21(7-8-28-20)30-16-3-6-22(29-12-16)32-9-1-2-15(27)13-32/h3-8,10-12,15,33H,1-2,9,13,27H2,(H,28,30).
What are the key properties of 4-[8-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]-1,5-naphthyridin-2-yl]-2-chloro-6-fluorophenol?
4-[8-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]-1,5-naphthyridin-2-yl]-2-chloro-6-fluorophenol has a molecular weight of 464.93 g/mol, XLogP of 4.86, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]-1,5-naphthyridin-2-yl]-2-chloro-6-fluorophenol is sourced from PubChem (CID 154015031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).