N,N-dimethyl-3-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide

C26H28N6O2 — CID 130228528

IUPACN,N-dimethyl-3-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3cccc(C(=O)N(C)C)c3)c12
InChIInChI=1S/C26H28N6O2/c1-16-14-27-24(21-8-9-28-30-21)25-23(16)20(13-22(29-25)32-10-11-34-15-17(32)2)18-6-5-7-19(12-18)26(33)31(3)4/h5-9,12-14,17H,10-11,15H2,1-4H3,(H,28,30)/t17-/m1/s1
InChIKeyRQKSCSQNCJQQEA-QGZVFWFLSA-N
MW456.55 g/mol
LogP3.92
Rot. Bonds4

About N,N-dimethyl-3-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide

N,N-dimethyl-3-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide (PubChem CID 130228528) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide
PubChem CID130228528
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC NameN,N-dimethyl-3-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3cccc(C(=O)N(C)C)c3)c12
InChIInChI=1S/C26H28N6O2/c1-16-14-27-24(21-8-9-28-30-21)25-23(16)20(13-22(29-25)32-10-11-34-15-17(32)2)18-6-5-7-19(12-18)26(33)31(3)4/h5-9,12-14,17H,10-11,15H2,1-4H3,(H,28,30)/t17-/m1/s1
InChIKeyRQKSCSQNCJQQEA-QGZVFWFLSA-N
XLogP3.92
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide?
The IUPAC name of N,N-dimethyl-3-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide (CID 130228528) is N,N-dimethyl-3-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide is Cc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3cccc(C(=O)N(C)C)c3)c12.
What is the InChIKey of N,N-dimethyl-3-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide?
The InChIKey is RQKSCSQNCJQQEA-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-16-14-27-24(21-8-9-28-30-21)25-23(16)20(13-22(29-25)32-10-11-34-15-17(32)2)18-6-5-7-19(12-18)26(33)31(3)4/h5-9,12-14,17H,10-11,15H2,1-4H3,(H,28,30)/t17-/m1/s1.
What are the key properties of N,N-dimethyl-3-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide?
N,N-dimethyl-3-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide has a molecular weight of 456.55 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide is sourced from PubChem (CID 130228528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).