4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine

C25H28ClF2N5O — CID 58523675

IUPAC4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
SMILESCc1c(-c2cnn(CCN3CCOCC3)c2)cnc2c1N(Cc1c(F)ccc(F)c1Cl)CCC2
InChIInChI=1S/C25H28ClF2N5O/c1-17-19(18-13-30-33(15-18)8-7-31-9-11-34-12-10-31)14-29-23-3-2-6-32(25(17)23)16-20-21(27)4-5-22(28)24(20)26/h4-5,13-15H,2-3,6-12,16H2,1H3
InChIKeyHKGMAQUWKMBCCR-UHFFFAOYSA-N
MW487.98 g/mol
LogP4.47
Rot. Bonds6

About 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine

4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 58523675) has the molecular formula C25H28ClF2N5O and a molecular weight of 487.98 g/mol. Its IUPAC name is 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
PubChem CID58523675
Molecular FormulaC25H28ClF2N5O
Molecular Weight487.98 g/mol
Exact Mass487.20
IUPAC Name4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
SMILESCc1c(-c2cnn(CCN3CCOCC3)c2)cnc2c1N(Cc1c(F)ccc(F)c1Cl)CCC2
InChIInChI=1S/C25H28ClF2N5O/c1-17-19(18-13-30-33(15-18)8-7-31-9-11-34-12-10-31)14-29-23-3-2-6-32(25(17)23)16-20-21(27)4-5-22(28)24(20)26/h4-5,13-15H,2-3,6-12,16H2,1H3
InChIKeyHKGMAQUWKMBCCR-UHFFFAOYSA-N
XLogP4.47
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.98
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[[1-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]triazol-4-yl]methyl]morpholine
CID 162671449
4-[[5-(2-Fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methyl]morpholine
CID 11464125
4-[2-[4-(4-Fluorophenyl)-3-pyridin-4-ylpyrazol-1-yl]ethyl]morpholine
CID 15428666
4-[2-[4-(4-Fluorophenyl)-5-pyridin-4-ylpyrazol-1-yl]ethyl]morpholine
CID 15888329
4-[[2-(4-Fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl]morpholine
CID 21027422
4-[2-[3-(4-Fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]morpholine
CID 22037582
4-[2-[3-(4-Fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]ethyl]morpholine
CID 22037761
N-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-6-fluoro-1-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine
CID 54670597
N-(2-(5-chloro-2-fluorophenyl)-5-methylpyridin-4-yl)-6-fluoro-2-(2-methoxyethyl)-2H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671063
4-[3-[4-[5-[2-(2-Fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine
CID 54768045
4-[5-(4-Fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]morpholine
CID 57135004
2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-3-yl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 58523436

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine (CID 58523675) is 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine is Cc1c(-c2cnn(CCN3CCOCC3)c2)cnc2c1N(Cc1c(F)ccc(F)c1Cl)CCC2.
What is the InChIKey of 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The InChIKey is HKGMAQUWKMBCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClF2N5O/c1-17-19(18-13-30-33(15-18)8-7-31-9-11-34-12-10-31)14-29-23-3-2-6-32(25(17)23)16-20-21(27)4-5-22(28)24(20)26/h4-5,13-15H,2-3,6-12,16H2,1H3.
What are the key properties of 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 487.98 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 58523675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).