N,N-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]aniline

C29H34N6O2 — CID 118869141

IUPACN,N-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]aniline
SMILESC[C@@H]1COCCN1c1cc(-c2ccccc2N(C)C)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C29H34N6O2/c1-20-19-36-17-15-34(20)26-18-23(21-8-4-5-9-24(21)33(2)3)22-11-13-30-29(28(22)32-26)25-12-14-31-35(25)27-10-6-7-16-37-27/h4-5,8-9,11-14,18,20,27H,6-7,10,15-17,19H2,1-3H3/t20-,27?/m1/s1
InChIKeyWMFOOXJRSFVEEU-ACVCQEAVSA-N
MW498.63 g/mol
LogP5.15
Rot. Bonds5

About N,N-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]aniline

N,N-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]aniline (PubChem CID 118869141) has the molecular formula C29H34N6O2 and a molecular weight of 498.63 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]aniline
PubChem CID118869141
Molecular FormulaC29H34N6O2
Molecular Weight498.63 g/mol
Exact Mass498.27
IUPAC NameN,N-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]aniline
SMILESC[C@@H]1COCCN1c1cc(-c2ccccc2N(C)C)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
InChIInChI=1S/C29H34N6O2/c1-20-19-36-17-15-34(20)26-18-23(21-8-4-5-9-24(21)33(2)3)22-11-13-30-29(28(22)32-26)25-12-14-31-35(25)27-10-6-7-16-37-27/h4-5,8-9,11-14,18,20,27H,6-7,10,15-17,19H2,1-3H3/t20-,27?/m1/s1
InChIKeyWMFOOXJRSFVEEU-ACVCQEAVSA-N
XLogP5.15
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]aniline?
The IUPAC name of N,N-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]aniline (CID 118869141) is N,N-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]aniline?
The canonical SMILES for N,N-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]aniline is C[C@@H]1COCCN1c1cc(-c2ccccc2N(C)C)c2ccnc(-c3ccnn3C3CCCCO3)c2n1.
What is the InChIKey of N,N-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]aniline?
The InChIKey is WMFOOXJRSFVEEU-ACVCQEAVSA-N. The full InChI is InChI=1S/C29H34N6O2/c1-20-19-36-17-15-34(20)26-18-23(21-8-4-5-9-24(21)33(2)3)22-11-13-30-29(28(22)32-26)25-12-14-31-35(25)27-10-6-7-16-37-27/h4-5,8-9,11-14,18,20,27H,6-7,10,15-17,19H2,1-3H3/t20-,27?/m1/s1.
What are the key properties of N,N-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]aniline?
N,N-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]aniline has a molecular weight of 498.63 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]aniline is sourced from PubChem (CID 118869141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).