[1-[3-fluoro-4-[[2-(piperidin-4-ylmethyl)-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol

C24H25FN6O — CID 162439975

IUPAC[1-[3-fluoro-4-[[2-(piperidin-4-ylmethyl)-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol
SMILESOCc1ccn(-c2ccc(Nc3cc4nc(CC5CCNCC5)ccc4cn3)c(F)c2)n1
InChIInChI=1S/C24H25FN6O/c25-21-12-20(31-10-7-19(15-32)30-31)3-4-22(21)29-24-13-23-17(14-27-24)1-2-18(28-23)11-16-5-8-26-9-6-16/h1-4,7,10,12-14,16,26,32H,5-6,8-9,11,15H2,(H,27,29)
InChIKeyULNGKSGQVVQHJF-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.73
Rot. Bonds6

About [1-[3-fluoro-4-[[2-(piperidin-4-ylmethyl)-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol

[1-[3-fluoro-4-[[2-(piperidin-4-ylmethyl)-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol (PubChem CID 162439975) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is [1-[3-fluoro-4-[[2-(piperidin-4-ylmethyl)-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-fluoro-4-[[2-(piperidin-4-ylmethyl)-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol
PubChem CID162439975
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name[1-[3-fluoro-4-[[2-(piperidin-4-ylmethyl)-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol
SMILESOCc1ccn(-c2ccc(Nc3cc4nc(CC5CCNCC5)ccc4cn3)c(F)c2)n1
InChIInChI=1S/C24H25FN6O/c25-21-12-20(31-10-7-19(15-32)30-31)3-4-22(21)29-24-13-23-17(14-27-24)1-2-18(28-23)11-16-5-8-26-9-6-16/h1-4,7,10,12-14,16,26,32H,5-6,8-9,11,15H2,(H,27,29)
InChIKeyULNGKSGQVVQHJF-UHFFFAOYSA-N
XLogP3.73
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[3-fluoro-4-[[2-(piperidin-4-ylmethyl)-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol?
The IUPAC name of [1-[3-fluoro-4-[[2-(piperidin-4-ylmethyl)-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol (CID 162439975) is [1-[3-fluoro-4-[[2-(piperidin-4-ylmethyl)-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol.
What is the SMILES notation for [1-[3-fluoro-4-[[2-(piperidin-4-ylmethyl)-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol?
The canonical SMILES for [1-[3-fluoro-4-[[2-(piperidin-4-ylmethyl)-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol is OCc1ccn(-c2ccc(Nc3cc4nc(CC5CCNCC5)ccc4cn3)c(F)c2)n1.
What is the InChIKey of [1-[3-fluoro-4-[[2-(piperidin-4-ylmethyl)-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol?
The InChIKey is ULNGKSGQVVQHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c25-21-12-20(31-10-7-19(15-32)30-31)3-4-22(21)29-24-13-23-17(14-27-24)1-2-18(28-23)11-16-5-8-26-9-6-16/h1-4,7,10,12-14,16,26,32H,5-6,8-9,11,15H2,(H,27,29).
What are the key properties of [1-[3-fluoro-4-[[2-(piperidin-4-ylmethyl)-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol?
[1-[3-fluoro-4-[[2-(piperidin-4-ylmethyl)-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol has a molecular weight of 432.50 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-fluoro-4-[[2-(piperidin-4-ylmethyl)-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol is sourced from PubChem (CID 162439975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).