(3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-(2-methyl-3-pyridinyl)-2-pyridinyl]-3-methylmorpholine

C24H23FN4O — CID 170036285

IUPAC(3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-(2-methyl-3-pyridinyl)-2-pyridinyl]-3-methylmorpholine
SMILESCc1ncccc1-c1cc(-c2c(F)ncc3c2C=CC3)nc(N2CCOC[C@H]2C)c1
InChIInChI=1S/C24H23FN4O/c1-15-14-30-10-9-29(15)22-12-18(19-7-4-8-26-16(19)2)11-21(28-22)23-20-6-3-5-17(20)13-27-24(23)25/h3-4,6-8,11-13,15H,5,9-10,14H2,1-2H3/t15-/m1/s1
InChIKeySHGWWEWGGYFWID-OAHLLOKOSA-N
MW402.47 g/mol
LogP4.45
Rot. Bonds3

About (3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-(2-methyl-3-pyridinyl)-2-pyridinyl]-3-methylmorpholine

(3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-(2-methyl-3-pyridinyl)-2-pyridinyl]-3-methylmorpholine (PubChem CID 170036285) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is (3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-(2-methyl-3-pyridinyl)-2-pyridinyl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-(2-methyl-3-pyridinyl)-2-pyridinyl]-3-methylmorpholine
PubChem CID170036285
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name(3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-(2-methyl-3-pyridinyl)-2-pyridinyl]-3-methylmorpholine
SMILESCc1ncccc1-c1cc(-c2c(F)ncc3c2C=CC3)nc(N2CCOC[C@H]2C)c1
InChIInChI=1S/C24H23FN4O/c1-15-14-30-10-9-29(15)22-12-18(19-7-4-8-26-16(19)2)11-21(28-22)23-20-6-3-5-17(20)13-27-24(23)25/h3-4,6-8,11-13,15H,5,9-10,14H2,1-2H3/t15-/m1/s1
InChIKeySHGWWEWGGYFWID-OAHLLOKOSA-N
XLogP4.45
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-(2-methyl-3-pyridinyl)-2-pyridinyl]-3-methylmorpholine with MolForge

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Launch Full Analysis

Related Compounds

(3R)-4-[6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(1H-pyrazol-5-yl)-2-pyridinyl]-3-methylmorpholine
CID 163996893
(3R)-3-methyl-4-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine
CID 151175498
3-[2-fluoro-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-4-methylaniline
CID 118938849
(3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 95629224
(3R)-4-[5-fluoro-4-(2-methyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 170688153
[2-chloro-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-pyridin-2-ylmethanethiol
CID 87543945
(3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine
CID 86691143
[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-(oxetan-3-yl)-oxo-λ6-sulfane;[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-(oxetan-3-yl)-oxo-λ6-sulfane;[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-(oxetan-3-yl)-oxo-λ6-sulfane;[2-(6-fluoro-5-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-(3H-indol-7-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 162047928
(3R)-4-[5-fluoro-4,7-bis(2-methylpyrazol-3-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 170224825
2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethylamino)-6-(3-methylmorpholin-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 123932416
4-(4-chloro-6-methyl-2-pyridinyl)-3-methylmorpholine
CID 166928502
(3R)-3-methyl-4-[4-(3-methyl-2-pyridinyl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]morpholine
CID 155903547

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-(2-methyl-3-pyridinyl)-2-pyridinyl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-(2-methyl-3-pyridinyl)-2-pyridinyl]-3-methylmorpholine (CID 170036285) is (3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-(2-methyl-3-pyridinyl)-2-pyridinyl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-(2-methyl-3-pyridinyl)-2-pyridinyl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-(2-methyl-3-pyridinyl)-2-pyridinyl]-3-methylmorpholine is Cc1ncccc1-c1cc(-c2c(F)ncc3c2C=CC3)nc(N2CCOC[C@H]2C)c1.
What is the InChIKey of (3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-(2-methyl-3-pyridinyl)-2-pyridinyl]-3-methylmorpholine?
The InChIKey is SHGWWEWGGYFWID-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-15-14-30-10-9-29(15)22-12-18(19-7-4-8-26-16(19)2)11-21(28-22)23-20-6-3-5-17(20)13-27-24(23)25/h3-4,6-8,11-13,15H,5,9-10,14H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-(2-methyl-3-pyridinyl)-2-pyridinyl]-3-methylmorpholine?
(3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-(2-methyl-3-pyridinyl)-2-pyridinyl]-3-methylmorpholine has a molecular weight of 402.47 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-(2-methyl-3-pyridinyl)-2-pyridinyl]-3-methylmorpholine is sourced from PubChem (CID 170036285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).