4-[4-(2-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C21H18ClN5O — CID 118890825

IUPAC4-[4-(2-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESClc1ccccc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C21H18ClN5O/c22-17-4-2-1-3-14(17)16-13-19(27-9-11-28-12-10-27)25-20-15(16)5-7-23-21(20)18-6-8-24-26-18/h1-8,13H,9-12H2,(H,24,26)
InChIKeyRBWOPWXQGNZDEN-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.18
Rot. Bonds3

About 4-[4-(2-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

4-[4-(2-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118890825) has the molecular formula C21H18ClN5O and a molecular weight of 391.86 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118890825
Molecular FormulaC21H18ClN5O
Molecular Weight391.86 g/mol
Exact Mass391.12
IUPAC Name4-[4-(2-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESClc1ccccc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C21H18ClN5O/c22-17-4-2-1-3-14(17)16-13-19(27-9-11-28-12-10-27)25-20-15(16)5-7-23-21(20)18-6-8-24-26-18/h1-8,13H,9-12H2,(H,24,26)
InChIKeyRBWOPWXQGNZDEN-UHFFFAOYSA-N
XLogP4.18
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118890825) is 4-[4-(2-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is Clc1ccccc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of 4-[4-(2-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is RBWOPWXQGNZDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O/c22-17-4-2-1-3-14(17)16-13-19(27-9-11-28-12-10-27)25-20-15(16)5-7-23-21(20)18-6-8-24-26-18/h1-8,13H,9-12H2,(H,24,26).
What are the key properties of 4-[4-(2-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(2-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 391.86 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118890825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).