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

C25H26FN7O2 — CID 118890792

IUPAC(3R)-4-[4-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccnc(N3CCOCC3)c2F)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C25H26FN7O2/c1-16-15-35-13-10-33(16)21-14-19(17-2-6-28-25(22(17)26)32-8-11-34-12-9-32)18-3-5-27-24(23(18)30-21)20-4-7-29-31-20/h2-7,14,16H,8-13,15H2,1H3,(H,29,31)/t16-/m1/s1
InChIKeyMBYNFSWSAREFHM-MRXNPFEDSA-N
MW475.53 g/mol
LogP3.28
Rot. Bonds4

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

(3R)-4-[4-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118890792) has the molecular formula C25H26FN7O2 and a molecular weight of 475.53 g/mol. Its IUPAC name is (3R)-4-[4-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118890792
Molecular FormulaC25H26FN7O2
Molecular Weight475.53 g/mol
Exact Mass475.21
IUPAC Name(3R)-4-[4-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccnc(N3CCOCC3)c2F)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C25H26FN7O2/c1-16-15-35-13-10-33(16)21-14-19(17-2-6-28-25(22(17)26)32-8-11-34-12-9-32)18-3-5-27-24(23(18)30-21)20-4-7-29-31-20/h2-7,14,16H,8-13,15H2,1H3,(H,29,31)/t16-/m1/s1
InChIKeyMBYNFSWSAREFHM-MRXNPFEDSA-N
XLogP3.28
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118890792) is (3R)-4-[4-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(-c2ccnc(N3CCOCC3)c2F)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of (3R)-4-[4-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is MBYNFSWSAREFHM-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H26FN7O2/c1-16-15-35-13-10-33(16)21-14-19(17-2-6-28-25(22(17)26)32-8-11-34-12-9-32)18-3-5-27-24(23(18)30-21)20-4-7-29-31-20/h2-7,14,16H,8-13,15H2,1H3,(H,29,31)/t16-/m1/s1.
What are the key properties of (3R)-4-[4-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 475.53 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118890792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).