(2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methyl-1,6-naphthyridin-7-yl]-2-(2,4-dimethyl-3H-pyrazol-4-yl)morpholine

C24H25ClFN5O — CID 167283974

IUPAC(2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methyl-1,6-naphthyridin-7-yl]-2-(2,4-dimethyl-3H-pyrazol-4-yl)morpholine
SMILESCc1ccc2c(-c3ccc(Cl)cc3F)nc(N3CCO[C@H](C4(C)C=NN(C)C4)C3)cc2n1
InChIInChI=1S/C24H25ClFN5O/c1-15-4-6-18-20(28-15)11-22(29-23(18)17-7-5-16(25)10-19(17)26)31-8-9-32-21(12-31)24(2)13-27-30(3)14-24/h4-7,10-11,13,21H,8-9,12,14H2,1-3H3/t21-,24?/m0/s1
InChIKeyUSJVKBZRWPZSNI-XEGCMXMBSA-N
MW453.95 g/mol
LogP4.54
Rot. Bonds3

About (2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methyl-1,6-naphthyridin-7-yl]-2-(2,4-dimethyl-3H-pyrazol-4-yl)morpholine

(2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methyl-1,6-naphthyridin-7-yl]-2-(2,4-dimethyl-3H-pyrazol-4-yl)morpholine (PubChem CID 167283974) has the molecular formula C24H25ClFN5O and a molecular weight of 453.95 g/mol. Its IUPAC name is (2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methyl-1,6-naphthyridin-7-yl]-2-(2,4-dimethyl-3H-pyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methyl-1,6-naphthyridin-7-yl]-2-(2,4-dimethyl-3H-pyrazol-4-yl)morpholine
PubChem CID167283974
Molecular FormulaC24H25ClFN5O
Molecular Weight453.95 g/mol
Exact Mass453.17
IUPAC Name(2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methyl-1,6-naphthyridin-7-yl]-2-(2,4-dimethyl-3H-pyrazol-4-yl)morpholine
SMILESCc1ccc2c(-c3ccc(Cl)cc3F)nc(N3CCO[C@H](C4(C)C=NN(C)C4)C3)cc2n1
InChIInChI=1S/C24H25ClFN5O/c1-15-4-6-18-20(28-15)11-22(29-23(18)17-7-5-16(25)10-19(17)26)31-8-9-32-21(12-31)24(2)13-27-30(3)14-24/h4-7,10-11,13,21H,8-9,12,14H2,1-3H3/t21-,24?/m0/s1
InChIKeyUSJVKBZRWPZSNI-XEGCMXMBSA-N
XLogP4.54
TPSA53.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.95
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methyl-1,6-naphthyridin-7-yl]-2-(2,4-dimethyl-3H-pyrazol-4-yl)morpholine?
The IUPAC name of (2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methyl-1,6-naphthyridin-7-yl]-2-(2,4-dimethyl-3H-pyrazol-4-yl)morpholine (CID 167283974) is (2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methyl-1,6-naphthyridin-7-yl]-2-(2,4-dimethyl-3H-pyrazol-4-yl)morpholine.
What is the SMILES notation for (2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methyl-1,6-naphthyridin-7-yl]-2-(2,4-dimethyl-3H-pyrazol-4-yl)morpholine?
The canonical SMILES for (2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methyl-1,6-naphthyridin-7-yl]-2-(2,4-dimethyl-3H-pyrazol-4-yl)morpholine is Cc1ccc2c(-c3ccc(Cl)cc3F)nc(N3CCO[C@H](C4(C)C=NN(C)C4)C3)cc2n1.
What is the InChIKey of (2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methyl-1,6-naphthyridin-7-yl]-2-(2,4-dimethyl-3H-pyrazol-4-yl)morpholine?
The InChIKey is USJVKBZRWPZSNI-XEGCMXMBSA-N. The full InChI is InChI=1S/C24H25ClFN5O/c1-15-4-6-18-20(28-15)11-22(29-23(18)17-7-5-16(25)10-19(17)26)31-8-9-32-21(12-31)24(2)13-27-30(3)14-24/h4-7,10-11,13,21H,8-9,12,14H2,1-3H3/t21-,24?/m0/s1.
What are the key properties of (2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methyl-1,6-naphthyridin-7-yl]-2-(2,4-dimethyl-3H-pyrazol-4-yl)morpholine?
(2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methyl-1,6-naphthyridin-7-yl]-2-(2,4-dimethyl-3H-pyrazol-4-yl)morpholine has a molecular weight of 453.95 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[5-(4-chloro-2-fluorophenyl)-2-methyl-1,6-naphthyridin-7-yl]-2-(2,4-dimethyl-3H-pyrazol-4-yl)morpholine is sourced from PubChem (CID 167283974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).