N,N-dimethyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide

C24H24N6O2 — CID 122585600

IUPACN,N-dimethyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1
InChIInChI=1S/C24H24N6O2/c1-29(2)24(31)17-5-3-16(4-6-17)19-15-21(30-11-13-32-14-12-30)27-22-18(19)7-9-25-23(22)20-8-10-26-28-20/h3-10,15H,11-14H2,1-2H3,(H,26,28)
InChIKeyXQEJYFQMHWMLNC-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.23
Rot. Bonds4

About N,N-dimethyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide

N,N-dimethyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide (PubChem CID 122585600) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide
PubChem CID122585600
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC NameN,N-dimethyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1
InChIInChI=1S/C24H24N6O2/c1-29(2)24(31)17-5-3-16(4-6-17)19-15-21(30-11-13-32-14-12-30)27-22-18(19)7-9-25-23(22)20-8-10-26-28-20/h3-10,15H,11-14H2,1-2H3,(H,26,28)
InChIKeyXQEJYFQMHWMLNC-UHFFFAOYSA-N
XLogP3.23
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide (CID 122585600) is N,N-dimethyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide is CN(C)C(=O)c1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide?
The InChIKey is XQEJYFQMHWMLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-29(2)24(31)17-5-3-16(4-6-17)19-15-21(30-11-13-32-14-12-30)27-22-18(19)7-9-25-23(22)20-8-10-26-28-20/h3-10,15H,11-14H2,1-2H3,(H,26,28).
What are the key properties of N,N-dimethyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide?
N,N-dimethyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide has a molecular weight of 428.50 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide is sourced from PubChem (CID 122585600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).