(1R)-1-[7-[(5-fluoro-2-propan-2-yloxy-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol

C24H30FN5O2 — CID 166630123

IUPAC(1R)-1-[7-[(5-fluoro-2-propan-2-yloxy-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
SMILESCC(C)Oc1cc(Nc2cc3nc([C@](C)(O)C4CCN(C)CC4)ccc3cn2)c(F)cn1
InChIInChI=1S/C24H30FN5O2/c1-15(2)32-23-12-20(18(25)14-27-23)29-22-11-19-16(13-26-22)5-6-21(28-19)24(3,31)17-7-9-30(4)10-8-17/h5-6,11-15,17,31H,7-10H2,1-4H3,(H,26,27,29)/t24-/m1/s1
InChIKeyWLPDYLPFPWPYBC-XMMPIXPASA-N
MW439.54 g/mol
LogP4.24
Rot. Bonds6

About (1R)-1-[7-[(5-fluoro-2-propan-2-yloxy-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol

(1R)-1-[7-[(5-fluoro-2-propan-2-yloxy-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol (PubChem CID 166630123) has the molecular formula C24H30FN5O2 and a molecular weight of 439.54 g/mol. Its IUPAC name is (1R)-1-[7-[(5-fluoro-2-propan-2-yloxy-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-[7-[(5-fluoro-2-propan-2-yloxy-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
PubChem CID166630123
Molecular FormulaC24H30FN5O2
Molecular Weight439.54 g/mol
Exact Mass439.24
IUPAC Name(1R)-1-[7-[(5-fluoro-2-propan-2-yloxy-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
SMILESCC(C)Oc1cc(Nc2cc3nc([C@](C)(O)C4CCN(C)CC4)ccc3cn2)c(F)cn1
InChIInChI=1S/C24H30FN5O2/c1-15(2)32-23-12-20(18(25)14-27-23)29-22-11-19-16(13-26-22)5-6-21(28-19)24(3,31)17-7-9-30(4)10-8-17/h5-6,11-15,17,31H,7-10H2,1-4H3,(H,26,27,29)/t24-/m1/s1
InChIKeyWLPDYLPFPWPYBC-XMMPIXPASA-N
XLogP4.24
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[7-[(5-fluoro-2-propan-2-yloxy-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The IUPAC name of (1R)-1-[7-[(5-fluoro-2-propan-2-yloxy-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol (CID 166630123) is (1R)-1-[7-[(5-fluoro-2-propan-2-yloxy-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol.
What is the SMILES notation for (1R)-1-[7-[(5-fluoro-2-propan-2-yloxy-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The canonical SMILES for (1R)-1-[7-[(5-fluoro-2-propan-2-yloxy-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol is CC(C)Oc1cc(Nc2cc3nc([C@](C)(O)C4CCN(C)CC4)ccc3cn2)c(F)cn1.
What is the InChIKey of (1R)-1-[7-[(5-fluoro-2-propan-2-yloxy-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The InChIKey is WLPDYLPFPWPYBC-XMMPIXPASA-N. The full InChI is InChI=1S/C24H30FN5O2/c1-15(2)32-23-12-20(18(25)14-27-23)29-22-11-19-16(13-26-22)5-6-21(28-19)24(3,31)17-7-9-30(4)10-8-17/h5-6,11-15,17,31H,7-10H2,1-4H3,(H,26,27,29)/t24-/m1/s1.
What are the key properties of (1R)-1-[7-[(5-fluoro-2-propan-2-yloxy-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
(1R)-1-[7-[(5-fluoro-2-propan-2-yloxy-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol has a molecular weight of 439.54 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[7-[(5-fluoro-2-propan-2-yloxy-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol is sourced from PubChem (CID 166630123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).