(1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-piperidin-4-ylethanol

C25H27FN6O2 — CID 166629812

IUPAC(1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-piperidin-4-ylethanol
SMILESC[C@](O)(c1ccc2cnc(Nc3ccc(-n4ccc(CO)n4)cc3F)cc2n1)C1CCNCC1
InChIInChI=1S/C25H27FN6O2/c1-25(34,17-6-9-27-10-7-17)23-5-2-16-14-28-24(13-22(16)29-23)30-21-4-3-19(12-20(21)26)32-11-8-18(15-33)31-32/h2-5,8,11-14,17,27,33-34H,6-7,9-10,15H2,1H3,(H,28,30)/t25-/m1/s1
InChIKeyIEGUVVCSOPRFMZ-RUZDIDTESA-N
MW462.53 g/mol
LogP3.40
Rot. Bonds6

About (1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-piperidin-4-ylethanol

(1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-piperidin-4-ylethanol (PubChem CID 166629812) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is (1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-piperidin-4-ylethanol.

Molecular Properties

Compound Name(1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-piperidin-4-ylethanol
PubChem CID166629812
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC Name(1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-piperidin-4-ylethanol
SMILESC[C@](O)(c1ccc2cnc(Nc3ccc(-n4ccc(CO)n4)cc3F)cc2n1)C1CCNCC1
InChIInChI=1S/C25H27FN6O2/c1-25(34,17-6-9-27-10-7-17)23-5-2-16-14-28-24(13-22(16)29-23)30-21-4-3-19(12-20(21)26)32-11-8-18(15-33)31-32/h2-5,8,11-14,17,27,33-34H,6-7,9-10,15H2,1H3,(H,28,30)/t25-/m1/s1
InChIKeyIEGUVVCSOPRFMZ-RUZDIDTESA-N
XLogP3.40
TPSA108.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-piperidin-4-ylethanol?
The IUPAC name of (1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-piperidin-4-ylethanol (CID 166629812) is (1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-piperidin-4-ylethanol.
What is the SMILES notation for (1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-piperidin-4-ylethanol?
The canonical SMILES for (1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-piperidin-4-ylethanol is C[C@](O)(c1ccc2cnc(Nc3ccc(-n4ccc(CO)n4)cc3F)cc2n1)C1CCNCC1.
What is the InChIKey of (1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-piperidin-4-ylethanol?
The InChIKey is IEGUVVCSOPRFMZ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H27FN6O2/c1-25(34,17-6-9-27-10-7-17)23-5-2-16-14-28-24(13-22(16)29-23)30-21-4-3-19(12-20(21)26)32-11-8-18(15-33)31-32/h2-5,8,11-14,17,27,33-34H,6-7,9-10,15H2,1H3,(H,28,30)/t25-/m1/s1.
What are the key properties of (1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-piperidin-4-ylethanol?
(1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-piperidin-4-ylethanol has a molecular weight of 462.53 g/mol, XLogP of 3.40, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-piperidin-4-ylethanol is sourced from PubChem (CID 166629812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).