(2R)-4-[5-(4-chloro-2-fluorophenyl)-1,6-naphthyridin-7-yl]-2-(1-methylpyrazol-4-yl)morpholine

C22H19ClFN5O — CID 157044906

IUPAC(2R)-4-[5-(4-chloro-2-fluorophenyl)-1,6-naphthyridin-7-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc([C@@H]2CN(c3cc4ncccc4c(-c4ccc(Cl)cc4F)n3)CCO2)cn1
InChIInChI=1S/C22H19ClFN5O/c1-28-12-14(11-26-28)20-13-29(7-8-30-20)21-10-19-17(3-2-6-25-19)22(27-21)16-5-4-15(23)9-18(16)24/h2-6,9-12,20H,7-8,13H2,1H3/t20-/m0/s1
InChIKeyMFYALOFXBKUYKC-FQEVSTJZSA-N
MW423.88 g/mol
LogP4.40
Rot. Bonds3

About (2R)-4-[5-(4-chloro-2-fluorophenyl)-1,6-naphthyridin-7-yl]-2-(1-methylpyrazol-4-yl)morpholine

(2R)-4-[5-(4-chloro-2-fluorophenyl)-1,6-naphthyridin-7-yl]-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 157044906) has the molecular formula C22H19ClFN5O and a molecular weight of 423.88 g/mol. Its IUPAC name is (2R)-4-[5-(4-chloro-2-fluorophenyl)-1,6-naphthyridin-7-yl]-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[5-(4-chloro-2-fluorophenyl)-1,6-naphthyridin-7-yl]-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID157044906
Molecular FormulaC22H19ClFN5O
Molecular Weight423.88 g/mol
Exact Mass423.13
IUPAC Name(2R)-4-[5-(4-chloro-2-fluorophenyl)-1,6-naphthyridin-7-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc([C@@H]2CN(c3cc4ncccc4c(-c4ccc(Cl)cc4F)n3)CCO2)cn1
InChIInChI=1S/C22H19ClFN5O/c1-28-12-14(11-26-28)20-13-29(7-8-30-20)21-10-19-17(3-2-6-25-19)22(27-21)16-5-4-15(23)9-18(16)24/h2-6,9-12,20H,7-8,13H2,1H3/t20-/m0/s1
InChIKeyMFYALOFXBKUYKC-FQEVSTJZSA-N
XLogP4.40
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 54.40
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)-1,6-naphthyridin-7-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of (2R)-4-[5-(4-chloro-2-fluorophenyl)-1,6-naphthyridin-7-yl]-2-(1-methylpyrazol-4-yl)morpholine (CID 157044906) is (2R)-4-[5-(4-chloro-2-fluorophenyl)-1,6-naphthyridin-7-yl]-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for (2R)-4-[5-(4-chloro-2-fluorophenyl)-1,6-naphthyridin-7-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for (2R)-4-[5-(4-chloro-2-fluorophenyl)-1,6-naphthyridin-7-yl]-2-(1-methylpyrazol-4-yl)morpholine is Cn1cc([C@@H]2CN(c3cc4ncccc4c(-c4ccc(Cl)cc4F)n3)CCO2)cn1.
What is the InChIKey of (2R)-4-[5-(4-chloro-2-fluorophenyl)-1,6-naphthyridin-7-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is MFYALOFXBKUYKC-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H19ClFN5O/c1-28-12-14(11-26-28)20-13-29(7-8-30-20)21-10-19-17(3-2-6-25-19)22(27-21)16-5-4-15(23)9-18(16)24/h2-6,9-12,20H,7-8,13H2,1H3/t20-/m0/s1.
What are the key properties of (2R)-4-[5-(4-chloro-2-fluorophenyl)-1,6-naphthyridin-7-yl]-2-(1-methylpyrazol-4-yl)morpholine?
(2R)-4-[5-(4-chloro-2-fluorophenyl)-1,6-naphthyridin-7-yl]-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 423.88 g/mol, XLogP of 4.40, 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)-1,6-naphthyridin-7-yl]-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 157044906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).