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

C21H18ClFN6O — CID 118869498

IUPAC(3R)-4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2cc(Cl)cnc2F)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H18ClFN6O/c1-12-11-30-7-6-29(12)18-9-15(16-8-13(22)10-25-21(16)23)14-2-4-24-20(19(14)27-18)17-3-5-26-28-17/h2-5,8-10,12H,6-7,11H2,1H3,(H,26,28)/t12-/m1/s1
InChIKeyWYCWKUVERRUKHF-GFCCVEGCSA-N
MW424.87 g/mol
LogP4.10
Rot. Bonds3

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

(3R)-4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869498) has the molecular formula C21H18ClFN6O and a molecular weight of 424.87 g/mol. Its IUPAC name is (3R)-4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869498
Molecular FormulaC21H18ClFN6O
Molecular Weight424.87 g/mol
Exact Mass424.12
IUPAC Name(3R)-4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2cc(Cl)cnc2F)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H18ClFN6O/c1-12-11-30-7-6-29(12)18-9-15(16-8-13(22)10-25-21(16)23)14-2-4-24-20(19(14)27-18)17-3-5-26-28-17/h2-5,8-10,12H,6-7,11H2,1H3,(H,26,28)/t12-/m1/s1
InChIKeyWYCWKUVERRUKHF-GFCCVEGCSA-N
XLogP4.10
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.87
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Elimusertib
CID 118869362
4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 71253640
Tinengotinib
CID 137279257
4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]morpholine
CID 71253802
US10772893, Example 286
CID 118869094
US10772893, Example 143
CID 118869117
US10772893, Example 82
CID 118869234
(3R)-3-methyl-4-[4-(oxan-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869550
CID 118869552
CID 118869552
US10772893, Example 126
CID 118890502
US10772893, Example 118
CID 118890739
(3R)-4-[4-(2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 122585589

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869498) is (3R)-4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(-c2cc(Cl)cnc2F)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of (3R)-4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is WYCWKUVERRUKHF-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H18ClFN6O/c1-12-11-30-7-6-29(12)18-9-15(16-8-13(22)10-25-21(16)23)14-2-4-24-20(19(14)27-18)17-3-5-26-28-17/h2-5,8-10,12H,6-7,11H2,1H3,(H,26,28)/t12-/m1/s1.
What are the key properties of (3R)-4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(5-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 424.87 g/mol, XLogP of 4.10, 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-chloro-2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).