(3R)-4-[4-(5-fluoro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

C22H21FN6O — CID 118869540

IUPAC(3R)-4-[4-(5-fluoro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1ncc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)cc1F
InChIInChI=1S/C22H21FN6O/c1-13-12-30-8-7-29(13)20-10-17(15-9-18(23)14(2)25-11-15)16-3-5-24-22(21(16)27-20)19-4-6-26-28-19/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,26,28)/t13-/m1/s1
InChIKeyGSANULCNFWHNPD-CYBMUJFWSA-N
MW404.45 g/mol
LogP3.75
Rot. Bonds3

About (3R)-4-[4-(5-fluoro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

(3R)-4-[4-(5-fluoro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869540) has the molecular formula C22H21FN6O and a molecular weight of 404.45 g/mol. Its IUPAC name is (3R)-4-[4-(5-fluoro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(5-fluoro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869540
Molecular FormulaC22H21FN6O
Molecular Weight404.45 g/mol
Exact Mass404.18
IUPAC Name(3R)-4-[4-(5-fluoro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1ncc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)cc1F
InChIInChI=1S/C22H21FN6O/c1-13-12-30-8-7-29(13)20-10-17(15-9-18(23)14(2)25-11-15)16-3-5-24-22(21(16)27-20)19-4-6-26-28-19/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,26,28)/t13-/m1/s1
InChIKeyGSANULCNFWHNPD-CYBMUJFWSA-N
XLogP3.75
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(5-fluoro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(5-fluoro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869540) is (3R)-4-[4-(5-fluoro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(5-fluoro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(5-fluoro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is Cc1ncc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)cc1F.
What is the InChIKey of (3R)-4-[4-(5-fluoro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is GSANULCNFWHNPD-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H21FN6O/c1-13-12-30-8-7-29(13)20-10-17(15-9-18(23)14(2)25-11-15)16-3-5-24-22(21(16)27-20)19-4-6-26-28-19/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,26,28)/t13-/m1/s1.
What are the key properties of (3R)-4-[4-(5-fluoro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(5-fluoro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 404.45 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(5-fluoro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).