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

C22H25FN6O — CID 135121221

IUPAC(3R)-4-[4-(2-fluoro-6-methyl-3-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(C4CCNN4)nccc23)c(F)n1
InChIInChI=1S/C22H25FN6O/c1-13-3-4-16(22(23)26-13)17-11-19(29-9-10-30-12-14(29)2)27-20-15(17)5-7-24-21(20)18-6-8-25-28-18/h3-5,7,11,14,18,25,28H,6,8-10,12H2,1-2H3/t14-,18?/m1/s1
InChIKeyJCVWUNGHUXHOEP-IKJXHCRLSA-N
MW408.48 g/mol
LogP2.90
Rot. Bonds3

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

(3R)-4-[4-(2-fluoro-6-methyl-3-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 135121221) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is (3R)-4-[4-(2-fluoro-6-methyl-3-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(2-fluoro-6-methyl-3-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID135121221
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name(3R)-4-[4-(2-fluoro-6-methyl-3-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(C4CCNN4)nccc23)c(F)n1
InChIInChI=1S/C22H25FN6O/c1-13-3-4-16(22(23)26-13)17-11-19(29-9-10-30-12-14(29)2)27-20-15(17)5-7-24-21(20)18-6-8-25-28-18/h3-5,7,11,14,18,25,28H,6,8-10,12H2,1-2H3/t14-,18?/m1/s1
InChIKeyJCVWUNGHUXHOEP-IKJXHCRLSA-N
XLogP2.90
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3R)-4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 155903537
(3R)-3-methyl-4-[4-(3-methyl-2-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]morpholine
CID 155903547
(3R)-4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 135121231
4-[4-(5-methoxy-3-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]morpholine
CID 135121286
(3R)-3-methyl-4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118890708
3-fluoro-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]aniline
CID 155648481
4-(8-pyrazolidin-3-yl-4-quinolin-3-yl-1,7-naphthyridin-2-yl)morpholine
CID 135121287
4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446512
4-[4-(6-fluoro-2-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446437
4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine
CID 139406117
(3R)-3-methyl-4-[4-(4-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869269
(3R)-3-methyl-4-[4-[1-(oxan-4-yl)pyrazol-3-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869465

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(2-fluoro-6-methyl-3-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(2-fluoro-6-methyl-3-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 135121221) is (3R)-4-[4-(2-fluoro-6-methyl-3-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(2-fluoro-6-methyl-3-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(2-fluoro-6-methyl-3-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine is Cc1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(C4CCNN4)nccc23)c(F)n1.
What is the InChIKey of (3R)-4-[4-(2-fluoro-6-methyl-3-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is JCVWUNGHUXHOEP-IKJXHCRLSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-13-3-4-16(22(23)26-13)17-11-19(29-9-10-30-12-14(29)2)27-20-15(17)5-7-24-21(20)18-6-8-25-28-18/h3-5,7,11,14,18,25,28H,6,8-10,12H2,1-2H3/t14-,18?/m1/s1.
What are the key properties of (3R)-4-[4-(2-fluoro-6-methyl-3-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(2-fluoro-6-methyl-3-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 408.48 g/mol, XLogP of 2.90, 3 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-6-methyl-3-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 135121221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).