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

C29H32N6O3 — CID 118869103

IUPACN-[2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3C3CCCCO3)nccc12
InChIInChI=1S/C29H32N6O3/c1-19-18-37-16-14-34(19)26-17-23(21-7-3-4-8-24(21)32-20(2)36)22-10-12-30-29(28(22)33-26)25-11-13-31-35(25)27-9-5-6-15-38-27/h3-4,7-8,10-13,17,19,27H,5-6,9,14-16,18H2,1-2H3,(H,32,36)/t19-,27?/m1/s1
InChIKeyVOYGYJALMVAAIA-FOEZPWHWSA-N
MW512.61 g/mol
LogP5.04
Rot. Bonds5

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

N-[2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]phenyl]acetamide (PubChem CID 118869103) has the molecular formula C29H32N6O3 and a molecular weight of 512.61 g/mol. Its IUPAC name is N-[2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]phenyl]acetamide
PubChem CID118869103
Molecular FormulaC29H32N6O3
Molecular Weight512.61 g/mol
Exact Mass512.25
IUPAC NameN-[2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3C3CCCCO3)nccc12
InChIInChI=1S/C29H32N6O3/c1-19-18-37-16-14-34(19)26-17-23(21-7-3-4-8-24(21)32-20(2)36)22-10-12-30-29(28(22)33-26)25-11-13-31-35(25)27-9-5-6-15-38-27/h3-4,7-8,10-13,17,19,27H,5-6,9,14-16,18H2,1-2H3,(H,32,36)/t19-,27?/m1/s1
InChIKeyVOYGYJALMVAAIA-FOEZPWHWSA-N
XLogP5.04
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]phenyl]acetamide?
The IUPAC name of N-[2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]phenyl]acetamide (CID 118869103) is N-[2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3C3CCCCO3)nccc12.
What is the InChIKey of N-[2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]phenyl]acetamide?
The InChIKey is VOYGYJALMVAAIA-FOEZPWHWSA-N. The full InChI is InChI=1S/C29H32N6O3/c1-19-18-37-16-14-34(19)26-17-23(21-7-3-4-8-24(21)32-20(2)36)22-10-12-30-29(28(22)33-26)25-11-13-31-35(25)27-9-5-6-15-38-27/h3-4,7-8,10-13,17,19,27H,5-6,9,14-16,18H2,1-2H3,(H,32,36)/t19-,27?/m1/s1.
What are the key properties of N-[2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]phenyl]acetamide?
N-[2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]phenyl]acetamide has a molecular weight of 512.61 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]phenyl]acetamide is sourced from PubChem (CID 118869103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).