(3R)-4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

C26H28FN7O — CID 118890521

IUPAC(3R)-4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccc(N3CCNCC3)cc2F)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C26H28FN7O/c1-17-16-35-13-12-34(17)24-15-21(19-3-2-18(14-22(19)27)33-10-8-28-9-11-33)20-4-6-29-26(25(20)31-24)23-5-7-30-32-23/h2-7,14-15,17,28H,8-13,16H2,1H3,(H,30,32)/t17-/m1/s1
InChIKeyCUGZZFGAVUOSBY-QGZVFWFLSA-N
MW473.56 g/mol
LogP3.46
Rot. Bonds4

About (3R)-4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

(3R)-4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118890521) has the molecular formula C26H28FN7O and a molecular weight of 473.56 g/mol. Its IUPAC name is (3R)-4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118890521
Molecular FormulaC26H28FN7O
Molecular Weight473.56 g/mol
Exact Mass473.23
IUPAC Name(3R)-4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccc(N3CCNCC3)cc2F)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C26H28FN7O/c1-17-16-35-13-12-34(17)24-15-21(19-3-2-18(14-22(19)27)33-10-8-28-9-11-33)20-4-6-29-26(25(20)31-24)23-5-7-30-32-23/h2-7,14-15,17,28H,8-13,16H2,1H3,(H,30,32)/t17-/m1/s1
InChIKeyCUGZZFGAVUOSBY-QGZVFWFLSA-N
XLogP3.46
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118890521) is (3R)-4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(-c2ccc(N3CCNCC3)cc2F)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of (3R)-4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is CUGZZFGAVUOSBY-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H28FN7O/c1-17-16-35-13-12-34(17)24-15-21(19-3-2-18(14-22(19)27)33-10-8-28-9-11-33)20-4-6-29-26(25(20)31-24)23-5-7-30-32-23/h2-7,14-15,17,28H,8-13,16H2,1H3,(H,30,32)/t17-/m1/s1.
What are the key properties of (3R)-4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 473.56 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118890521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).